2-(2,4-二氯苯氧基)苯胺盐酸盐 | 89279-16-3

• 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: 2-(2,4-二氯苯氧基)苯胺盐酸盐
• 中文别名: 2-(2,4-二氯苯氧基）苯胺盐酸盐
• 英文名称: 2-(2,4-dichloro-phenoxy)-phenylamine hydrochloride
• 英文别名: [2-(2,4-Dichlorophenoxy)phenyl]azanium;chloride
• CAS: 89279-16-3
• 化学式: C₁₂H₉Cl₂NO*ClH
• 分子量: 290.577
• InChiKey: VPOKWNPEXKYIPO-UHFFFAOYSA-N

物化性质

• 熔点：
  75 °C
• 稳定性/保质期：
  按规定使用和贮存的物质不会分解，并应避免与氧化物接触。

计算性质

• 辛醇/水分配系数(LogP)：
  4.79
• 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：
  35.2
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xn
• 危险类别码：
  R22,R36/37/38
• 海关编码：
  2922299090
• 包装等级：
  III
• 安全说明：
  S26,S36/37/39

SDS

Name:	2-(2 4-Dichlorophenoxy)aniline hydrochloride tech Material Safety Data Sheet
Synonym:
CAS:	89279-16-3

Section 1 - Chemical Product MSDS Name:2-(2 4-Dichlorophenoxy)aniline hydrochloride tech Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
89279-16-3	2-(2,4-Dichlorophenoxy)aniline hydroch		unlisted

Hazard Symbols: XN
Risk Phrases: 22 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful if swallowed. Irritating to eyes, respiratory system and skin.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 89279-16-3: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: off-white - tan
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 75 - 78 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C12H10Cl3NO
Molecular Weight: 290.58

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Bases, oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 89279-16-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-(2,4-Dichlorophenoxy)aniline hydrochloride - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 22 Harmful if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 89279-16-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 89279-16-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 89279-16-3 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-(2,4-二氯苯氧基)苯胺盐酸盐 在 potassium carbonate 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 2-(2,4-二氯苯氧基)苯胺
  参考文献：
  名称：

  [EN] INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGENASE
  [FR] COMPOSÉ

  摘要：

  公开号：

  WO2009066072A3

文献信息

• Substituted Aryl Benzylamines as Potent and Selective Inhibitors of 17β-Hydroxysteroid Dehydrogenase Type 3
  作者：Nigel Vicker、Helen V. Bailey、Joanna M. Day、Mary F. Mahon、Andrew Smith、Helena J. Tutill、Atul Purohit、Barry V. L. Potter

  DOI：10.3390/molecules26237166

  日期：——

  low nanomolar IC50 17β-HSD3 inhibitors were discovered using N-(2-([2-(4-chlorophenoxy)phenylamino]methyl)phenyl)acetamide (1). The most potent compounds have IC50 values of approximately 75 nM. Compound 29, N-[2-(1-Acetylpiperidin-4-ylamino)benzyl]-N-[2-(4-chlorophenoxy)phenyl]acetamide, has an IC50 of 76 nM, while compound 30, N-(2-(1-[2-(4-chlorophenoxy)-phenylamino]ethyl)phenyl)acetamide, has an IC50

  17β-羟基类固醇脱氢酶 3 型 (17β-HSD3) 在睾丸和精囊中高水平表达；它也存在于前列腺组织中，并参与性腺和非性腺睾酮的生物合成。该酶是膜结合的，还没有晶体结构。使用先前建立的同源模型和对接研究，通过基于结构的设计，设计并合成了基于选择性芳基苄胺的抑制剂作为前列腺癌治疗的潜在药物。使用N- (2-([2-(4-氯苯氧基)苯基氨基]甲基)苯基)乙酰胺 ( 1 )发现了有效的、选择性的、低纳摩尔 IC 50 17β-HSD3 抑制剂。最有效的化合物具有大约 75 nM 的 IC 50值。化合物29 , N -[2-(1-Acetylpiperidin-4-ylamino)benzyl] -N -[2-(4-chlorophenoxy)phenyl]acetamide, IC 50为 76 nM，而化合物30 , N -(2- (1-[2-(4-氯苯氧基)-苯基氨基]乙基)苯基)乙酰胺，IC
• Arylsulfonamide derivatives
  申请人：Anthony J. Neville

  公开号：US20060142612A1

  公开（公告）日：2006-06-29

  N-aryl arylsulfonamide derivatives are bradykinin B1 antagonists or inverse agonists useful in the treatment or prevention of symptoms such as pain and inflammation associated with the bradykinin B1 pathway.

  N-芳基磺酰胺衍生物是布雷金肽B1拮抗剂或逆激动剂，可用于治疗或预防与布雷金肽B1通路相关的疼痛和炎症等症状。
• COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE
  申请人：Vicker Nigel

  公开号：US20100286204A1

  公开（公告）日：2010-11-11

  There is provided a compound having Formula I wherein each of R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 and R 9 are independently selected from (a) H, (b) R 13 , —OC(R 13 ) 3 , —OCH(R 13 ) 2 , —OCH 2 R 13 , C(R 13 ) 3 , —CH(R 13 ) 2 , or —CH 2 R 13 wherein R 13 is a halogen; (c) —CN; (d) optionally substituted alkyl, (e) optionally substituted heteroalkyl; (f) optionally substituted aryl; (g) optionally substituted heteroaryl; (h) optionally substituted arylalkyl; (i) optionally substituted heteroarylalkyl; (j) hydroxy; (k) alkoxy; (l) aryloxy; (m) —SO 2 -alkyl; and (n) —N(R 14 )C(O)R 15 , wherein R 14 and R 15 are independently selected from H and hydrocarbyl, wherein the optional substituents of (d) (e) (f) (h) and (i) are selected from the group consisting of: C 1-6 alkyl, halo, cyano, nitro, haloalkyl, hydroxy, C 1-6 alkoxy, carboxy, carboxyalkyl, carboxamide, mercapto, amino, alkylamino, dialkylamino, sulfonyl, sulfonamido, aryl and heteroaryl; wherein n and p are independently selected from 0 and 1; X is an optional group selected from O, S, S=0, S(═O) 2 , C═O, S(═O) 2 NR 16 , C═ONR 17 , NR 18 , in which R 16 , R 17 , and R 18 are independently selected from H and hydrocarbyl, R 10 is selected from H and hydrocarbyl, R 11 is selected from CR 19 R 20 and C═O, in which R 19 and R 20 are independently selected from H and hydrocarbyl, R 12 is selected from a substituted five or six membered carbon rings optionally containing one or more hetero atoms selected from N, S, and O and optionally having fused thereto a further ring, and wherein the one or more substituents are selected from hydrocarbyl groups.

  提供了一种化合物，其具有以下化学式I，其中R1、R2、R3、R4、R5、R6、R7、R8和R9分别独立地选择自(a) H、(b) R13、-OC(R13)3、-OCH(R13)2、-OCH2R13、C(R13)3、-CH(R13)2或-CH2R13，其中R13是卤素；(c) -CN；(d) 可选取代的烷基；(e) 可选取代的杂环烷基；(f) 可选取代的芳基；(g) 可选取代的杂芳基；(h) 可选取代的芳基烷基；(i) 可选取代的杂芳基烷基；(j) 羟基；(k) 烷氧基；(l) 芳氧基；(m) -SO2-烷基；和(n) -N(R14)C(O)R15，其中R14和R15独立地选择自H和烃基，(d)、(e)、(f)、(h)和(i)的可选取代基团选择自以下群中的一种：C1-6烷基、卤素、氰基、硝基、卤代烷基、羟基、C1-6烷氧基、羧基、羧基烷基、羧酰胺基、巯基、氨基、烷基氨基、二烷基氨基、磺酰基、磺酰胺基、芳基和杂芳基；其中n和p独立地选择自0和1；X是可选的基团，选择自O、S、S=0、S(═O)2、C═O、S(═O)2NR16、C═ONR17、NR18，其中R16、R17和R18独立地选择自H和烃基，R10选择自H和烃基，R11选择自CR19R20和C═O，其中R19和R20独立地选择自H和烃基，R12选择自可选取代的含有一个或多个杂原子(N、S和O)的取代的五元或六元碳环，且可选择进一步融合环，其中一个或多个取代基团选择自烃基团。
• ARYLSULFONAMIDE DERIVATIVES
  申请人：Merck & Co., Inc.

  公开号：EP1643960A2

  公开（公告）日：2006-04-12
• INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGENASE
  申请人：Sterix Limited

  公开号：EP2220026A2

  公开（公告）日：2010-08-25