4-氨基-2,4'-二氯二苯甲酮 | 50274-85-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-氨基-2,4'-二氯二苯甲酮
• 英文名称: (4-amino-2-chlorophenyl)(4-chlorophenyl)-methanone
• 英文别名: 4-amino-2,4'-dichlorobenzophenone；3-chloro-4-(4-chlorobenzoyl)aniline；(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanone
• CAS: 50274-85-6
• 化学式: C₁₃H₉Cl₂NO
• 分子量: 266.127
• InChiKey: WIXSUPUXSXRDEZ-UHFFFAOYSA-N

物化性质

• 熔点：
  157-160 °C
• 沸点：
  445.3±40.0 °C(Predicted)
• 密度：
  1.373±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2922399090

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : 4-amino-2,4'-dichlorobenzophenone
CAS-No. : 50274-85-6
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Not a hazardous substance or mixture according to Regulation (EC) No 1272/2008
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Label elements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R51/53 Toxic to aquatic organisms, may cause long-term adverse effects in the
aquatic environment.
S-phrase(s)
S61 Avoid release to the environment. Refer to special instructions/ Safety
data sheets.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C13 H9 Cl2 N O
Molecular Weight : 266,13 g/mol
Component Concentration
4-amino-2,4'-dichlorobenzophenone
CAS-No. 50274-85-6 -
EC-No. 256-516-3

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Section 4. FIRST AID MEASURES
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Indication of any immediate medical attention and special treatment needed
no data available

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Section 5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, nitrogen oxides (NOx), Hydrogen chloride gas
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure
adequate ventilation. Avoid breathing dust.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the
environment must be avoided.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
protection.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end uses
no data available

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Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Use equipment for eye protection tested and approved under appropriate government standards
such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Choose body protection in relation to its type, to the concentration and amount of dangerous
substances, and to the specific work-place., The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US) or CEN (EU).

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: solid
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evaporation rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- log Pow: 3,782
octanol/water
p) Autoignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

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Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. May cause respiratory tract irritation.
Ingestion
May be harmful if swallowed.
Skin May be harmful if absorbed through skin. May cause skin irritation.
Eyes May cause eye irritation.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Additional Information
RTECS: Not available

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Section 12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
Toxic to aquatic life.

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Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
professional waste disposal service to dispose of this material. Dissolve or mix the material with a
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

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Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: 3077 IMDG: 3077 IATA: 3077
UN proper shipping name
ADR/RID: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (4-amino-2,4'-
dichlorobenzophenone)
IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (4-amino-2,4'-
dichlorobenzophenone)
IATA: Environmentally hazardous substance, solid, n.o.s. (4-amino-2,4'-dichlorobenzophenone)
Transport hazard class(es)
ADR/RID: 9 IMDG: 9 IATA: 9
Packaging group
ADR/RID: III IMDG: III IATA: III
Environmental hazards
ADR/RID: yes IMDG Marine pollutant: yes IATA: yes
Special precautions for user
Further information
EHS-Mark required (ADR 2.2.9.1.10, IMDG code 2.10.3) for single packagings and combination
packagings containing inner packagings with Dangerous Goods > 5L for liquids or > 5kg for solids.

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Section 15. REGULATORY INFORMATION
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
no data available

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Section 16. OTHER INFORMATION
Further information
Copyright 2012 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

反应信息

• 作为反应物：
  描述：

  4-氨基-2,4'-二氯二苯甲酮 在 盐酸 、 sodium hydroxide 、 sodium tetrahydroborate 、 硫酸 、 sodium acetate 、 巯基乙酸 、 sodium nitrite 作用下， 以 水 、 溶剂黄146 、 丙酸 为溶剂， 反应 24.8h， 生成 2-{3-chloro-4-[(4-chloro-phenyl)-hydroxy-methyl]-phenyl}-2H-[1,2,4]triazine-3,5-dione
  参考文献：
  名称：

  6-氮杂尿嘧啶的抗球虫衍生物。5.通过二苯甲酮侧链增强。

  摘要：

  发现对二苯甲酮侧链在N1处的连接是增强6-氮杂尿嘧啶对鸡广谱球菌的效力的最有效修饰之一。化合物20的效力是6-氮杂嘧啶的约1000倍。结构活性关系与先前报道的一系列含有二苯硫醚和砜侧链的类似物相似。药物代谢研究表明，酮会迅速还原为甲醇，后者是体内常见的物质。

  DOI：

  10.1021/jm00355a019
• 作为产物：
  描述：

  2-氯-4-硝基苯甲酰氯 在 palladium on activated charcoal 三氯化铝 、 氢气 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 25.0 ℃ 、689.48 kPa 条件下， 反应 1.0h， 生成 4-氨基-2,4'-二氯二苯甲酮
  参考文献：
  名称：

  6-氮杂尿嘧啶的抗球虫衍生物。5.通过二苯甲酮侧链增强。

  摘要：

  发现对二苯甲酮侧链在N1处的连接是增强6-氮杂尿嘧啶对鸡广谱球菌的效力的最有效修饰之一。化合物20的效力是6-氮杂嘧啶的约1000倍。结构活性关系与先前报道的一系列含有二苯硫醚和砜侧链的类似物相似。药物代谢研究表明，酮会迅速还原为甲醇，后者是体内常见的物质。

  DOI：

  10.1021/jm00355a019

文献信息

• Benzophenone ureas and method for utilizing the same
  申请人：American Cyanamid Company

  公开号：US03988300A1

  公开（公告）日：1976-10-26

  This invention provides for novel benzophenone ureas, a method for preparing the same, and a method for controlling undesirable broadleaf weeds and grasses therewith, wherein said benzophenone is represented by the generic formula: ##SPC1## Where A and B each represent hydrogen, methyl, halogen, trifluoromethyl, or methoxy; R.sub.1 and R.sub.2 are taken singly or in combination and represent hydrogen, lower alkyl, alkoxy, alkoxyalkyl, cycloalkyl, cyclohetero, loweralkylamino, lower alkenyl or lower alkynyl, with the proviso that A is either meta or para to the --HN--CO--NR.sub.1 R.sub.2 substituent.

  这项发明提供了新型苯酮脲类化合物，以及其制备方法和用于控制不良的阔叶杂草和禾本科植物的方法，其中所述苯酮脲类化合物由通用式表示：##SPC1## 其中A和B分别表示氢、甲基、卤素、三氟甲基或甲氧基；R.sub.1和R.sub.2单独或组合表示氢、低碳基、烷氧基、烷氧基烷基、环烷基、环杂环烷基、低碳基氨基、低烯基或低炔基，但A必须是--HN--CO--NR.sub.1 R.sub.2 取代基的间位或对位。
• [EN] QUINOLINE DERIVATIVE AND INSECTICIDE CONTAINING SAME AS ACTIVE CONSTITUENT<br/>[FR] DÉRIVÉ DE QUINOLINE ET INSECTICIDE CONTENANT CELUI-CI COMME CONSTITUANT ACTIF
  申请人：MEIJI SEIKA KAISHA

  公开号：WO2006013896A1

  公开（公告）日：2006-02-09

  　農園芸用殺虫剤として使用可能である、優れた殺虫活性を有する化合物が開示されている。下記式（Ｉ）で表される化合物またはその農園芸上許容可能な酸付加塩は、優れた殺虫活性を有し、農園芸用殺虫剤として用いられる。【化１】

  已披露了一种具有优异杀虫活性的化合物，可用作农业园艺用杀虫剂。由下式（I）表示的化合物或其农业园艺上允许的酸加成盐具有优异的杀虫活性，并可用作农业园艺用杀虫剂。【化1】
• [EN] AMINOBENZOPHENONES AS INHIBITORS OF INTERLEUKIN AND TNF<br/>[FR] AMINOBENZOPHENONES EN TANT QU'INHIBITEURS D'INTERLEUKINE ET DE TNF
  申请人：LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LØVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB)

  公开号：WO1998032730A1

  公开（公告）日：1998-07-30

  (EN) The compounds of the present invention are represented by general formula (I) in which formula R1 and R2 stand independently for one or more, similar or different substituents selected from the group consisting of hydrogen, halogen, hydroxy, mercapto, trifluoromethyl, amino, alkyl, alkoxy, alkylthio, alkylamino, or alkoxycarbonyl, the C-content of which can be from 1 to 5, cyano, carboxy, carbamoyl, phenyl, or nitro; R3 stands for hydrogen, halogen, hydroxy, mercapto, trifluoromethyl, amino, alkyl, alkoxy, alkylthio, alkylamino, or alkoxycarbonyl, the C-content of which can be from 1 to 5, phenyl, cyano, carboxy, or carbamoyl; R4, R5 and R6 stand independently for hydrogen, trifluoromethyl, alkyl, carbamoyl, alkoxycarbonyl, or alkyloxo, the C-content of which can be from 1 to 5; X stands for oxygen, N-OH, N-O-alkyl, dialkoxy, cyclic dialkoxy, dialkylthio, or cyclic dialkylthio, the C-content of which can be from 1 to 5. The present compounds are of value in the human and veterinary practice as systemic and topical therapeutic agents for the treatment and prophylaxis of asthma, allergy, rheumatoid arthritis, spondyloarthritis, gout, atherosclerosis, chronic inflammatory bowel disease, proliferative and inflammatory skin disorders, such as psoriasis, and atopic dermatitis.(FR) Composés représentés par la formule suivante (I) dans laquelle R1 et R2 représentent indépendamment un ou plusieurs substituants semblables ou différents sélectionnés dans le groupe constitué par hydrogène, halogène, hydroxy, mercapto, trifluorométhyle, amino, alkyle, alkoxy, alkylthio, alkylamino ou alkoxycarbonyle, dont la teneur en C peut être de 1 à 5, cyano, carboxy, carbamoyle, phényle ou nitro; R3 représente hydrogène, halogène, hydroxy, mercapto, trifluorométhyle, amino, alkyle, alkoxy, alkylthio, alkylamino ou alkoxycarbonyle, dont la teneur en C peut être de 1 à 5, phényle, cyano, carboxy ou carbamoyle; R4, R5 et R6 représentent indépendamment hydrogène, trifluorométhyle, alkyle, carbamoyle, alkoxycarbonyle ou alkyloxo, dont la teneur en C peut être de 1 à 5; X représente oxygène, N-OH, N-O- alkyle, dialkoxy, dialkoxy cyclique, dialkylthio ou dialkylthio cyclique, dont la teneur en C peut être de 1 à 5. Ces composés sont utiles dans les domaines médicaux et vétérinaires en tant qu'agents thérapeutiques systémiques et topiques pour le traitement et la prophylaxie de l'asthme, de l'allergie, de la polyarthrite rhumatoïde, de la spondylarthrite, de la goutte, de l'athérosclérose, de la maladie chronique intestinale inflammatoire, de maladies de la peau prolifératives et inflammatoires, telles que le psoriasis et l'eczéma constitutionnel.

  本发明的化合物由一般式（I）表示，其中R1和R2分别代表氢、卤素、羟基、巯基、三氟甲基、氨基、烷基、烷氧基、烷硫基、烷基氨基或烷氧羰基等一种或多种相似或不同的取代基，其C含量可以为1至5，还可以是氰基、羧基、氨基甲酰基、苯基或硝基；R3代表氢、卤素、羟基、巯基、三氟甲基、氨基、烷基、烷氧基、烷硫基、烷基氨基或烷氧羰基等一种或多种相似或不同的取代基，其C含量可以为1至5，还可以是苯基、氰基、羧基或氨基甲酰基；R4、R5和R6分别代表氢、三氟甲基、烷基、氨基甲酰基、烷氧羰基或烷氧基等一种或多种相似或不同的取代基，其C含量可以为1至5；X代表氧、N-OH、N-O-烷基、二烷氧基、环状二烷氧基、二烷基硫或环状二烷基硫等一种或多种相似或不同的取代基，其C含量可以为1至5。这些化合物在人类和兽医实践中作为系统和局部治疗剂，用于治疗和预防哮喘、过敏、类风湿性关节炎、脊柱关节炎、痛风、动脉硬化、慢性炎症性肠病、增生性和炎症性皮肤疾病，如银屑病和特应性皮炎等，具有重要的价值。
• [EN] ANILINE DERIVATIVES<br/>[FR] DERIVES DE L'ANILINE
  申请人：ZENECA LIMITED

  公开号：WO1996015118A1

  公开（公告）日：1996-05-23

  (EN) The invention concerns aniline derivatives of formula (I) wherein m is 1, 2 or 3 and each R1 includes halogeno, hydroxy, amino, hydroxyamino, ureido, trifluoromethoxy and (1-4C)alkyl; n is 0, 1, 2 or 3 and each R2 includes halogeno, trifluoromethyl, hydroxy, amino, nitro, cyano and (1-4C)alkyl; X is a group of the formula CO, C(R3)2, CH(OR3), C(R3)2-C(R3)2, C(R3)=C(R3), C=C, CH(CN), O, S, SO, SO2, CONR3, SO2NR3, NR3CO, NR3SO2, OC(R3)2, SC(R3)2, C(R3)2O or C(R3)2S wherein each R3 is independently hydrogen or (1-4C)alkyl; and Q is a phenyl or naphthyl group or a 5- or 6-membered heteroaryl moiety containing 1, 2 or 3 heteroatoms selected from oxygen, nitrogen and sulphur; or a pharmaceutically-acceptable salt thereof; processes for their preparation, pharmaceutical compositions containing them, and the use of the receptor tyrosine kinase inhibitory properties of the compounds in the treatment of proliferative disease such as cancer.(FR) L'invention concerne des dérivés de l'aniline de la formule (I). Dans cette formule, m vaut 1, 2 ou 3 et chaque R1 représente halogéno, hydroxy, amino, hydroxyamino, uréido, trifluorométhoxy et (1-4C) alkyle; n vaut 0, 1, 2 ou 3 et chaque R2 représente halogéno, trifluorométhyle, hydroxy, amino, nitro, cyano et (1-4C) alkyle; X est un groupe de la formule CO, C(R3)2, CH(OR3), C(R3)2-C(R3)2, C(R3)=C(R3), C=C, CH(CH), O, S, SO, SO2, CONR3, SO2NR3, NR3CO, NR3CO2, OC(R3)2, SC(R3)2, C(R3)2O ou C(R3)2S, où chaque R3 est indépendamment hydrogène ou (1-4C) alkyle; et Q est un groupe de phényle ou de naphthyle ou une fraction hétéroarylique à 5 ou 6 éléments comprenant 1, 2 ou 3 hétéroatomes choisis parmi l'oxygène, l'azote et le soufre. L'invention concerne également un sel de la présente formule qui soit acceptable sur le plan pharmaceutique; des procédés pour leur préparation, des compositions pharmaceutiques à base de ces substances, et l'utilisation des propriétés inhibitrices du récepteur de tyrosine-kinase des composés dans le traitement de maladies à évolution chronique telles que le cancer.

  本发明涉及公式（I）的苯胺衍生物，其中m为1、2或3，每个R1包括卤素、羟基、氨基、羟氨基、脲基、三氟甲氧基和（1-4C）烷基；n为0、1、2或3，每个R2包括卤素、三氟甲基、羟基、氨基、硝基、氰基和（1-4C）烷基；X是公式CO、C（R3）2、CH（OR3）、C（R3）2-C（R3）2、C（R3）=C（R3）、C=C、CH（CN）、O、S、SO、SO2、CONR3、SO2NR3、NR3CO、NR3SO2、OC（R3）2、SC（R3）2、C（R3）2O或C（R3）2S的基团，其中每个R3独立地为氢或（1-4C）烷基；Q是苯基或萘基或包含1、2或3个氧、氮和硫杂原子的5或6元杂环基；或其药学上可接受的盐；制备它们的方法，含有它们的制药组合物，以及利用化合物的受体酪氨酸激酶抑制性质治疗增殖性疾病，如癌症。
• Quinoline Derivatives And Insecticide Comprising Thereof As Active Ingredient
  申请人：Yamamoto Kazumi

  公开号：US20070203181A1

  公开（公告）日：2007-08-30

  Disclosed are compounds that have excellent insecticidal activity and are usable as agricultural and horticultural insecticides. Compounds represented by formula (I) or agriculturally and horticulturally acceptable acid addition salts thereof have excellent insecticidal activity and are usable as agricultural and horticultural insecticides.

  本发明涉及一种具有优异杀虫活性的化合物，可用作农业和园艺杀虫剂。化合物可由式（I）表示，或其农业和园艺可接受的酸盐加合物，具有优异的杀虫活性，可用作农业和园艺杀虫剂。