2-氯-5-硝基苯磺酰胺 | 96-72-0

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 烃类硝化物
• 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-氯-5-硝基苯磺酰胺
• 中文别名: 3,4-二氨基甲苯
• 英文名称: 2-chloro-5-nitrobenzenesulfonamide
• 英文别名: 2-Chlor-5-nitrobenzolsulfonamid
• CAS: 96-72-0
• 化学式: C₆H₅ClN₂O₄S
• mdl: MFCD00035780
• 分子量: 236.636
• InChiKey: ZAJALNCZCSSGJC-UHFFFAOYSA-N

物化性质

• 熔点：
  180-183°C
• 溶解度：
  可溶于二氯甲烷、乙酸乙酯、甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  114
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2935009090
• 安全说明：
  S45,S53,S61
• 危险性防范说明：
  P261,P280
• 危险性描述：
  H317
• 储存条件：
  2-8℃，干燥保存

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : 2-Chloro-5-nitrobenzenesulphonamide
CAS-No. : 96-72-0
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
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Skin sensitization (Category 1)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
May cause sensitization by skin contact.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Warning
Hazard statement(s)
H317 May cause an allergic skin reaction.
Precautionary statement(s)
P280 Wear protective gloves.
Supplemental Hazard none
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R43 May cause sensitization by skin contact.
S-phrase(s)
S24 Avoid contact with skin.
S36/37 Wear suitable protective clothing and gloves.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C6H5ClN2O4S
Molecular Weight : 236,63 g/mol
Component Concentration
2-Chloro-5-nitrobenzenesulphonamide
CAS-No. 96-72-0 -
EC-No. 202-527-3

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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
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
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), Sulphur oxides, 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
Do not let product enter drains.
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 contact with skin and eyes. 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
Face shield and safety glasses 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
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
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 Melting point/range: 179 - 186 °C
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: 0,675
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
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
no data available
Respiratory or skin sensitization
May cause sensitization by skin contact.
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 Causes 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
no data available

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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: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

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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：

  2-氯-5-硝基苯磺酰胺 在 5%-palladium/activated carbon N-甲基吗啉 、 吡啶 、 ammonium hydroxide 、 水 、 氢气 、 碳酸氢铵 、 copper(II) sulfate 、 sodium hydroxide 作用下， 以 乙醚 、 乙醇 、 二氯甲烷 、 异丁酰胺 、 水 、 乙腈 为溶剂， 反应 86.5h， 生成 N-[3-[(4aR,5S,8R,8aS)-1-[(4-氟苯基)甲基]-1,2,4a,5,6,7,8,8a-八氢-4-羟基-2-氧代-5,8-甲桥喹啉-3-基]-1,1-二氧代-2H-1,2,4-苯并噻二嗪-7-基]甲磺酰胺
  参考文献：
  名称：

  WO2008/124450

  摘要：

  公开号：
• 作为产物：
  描述：

  对硝基氯苯 在 氯磺酸 、 发烟硫酸 作用下， 生成 2-氯-5-硝基苯磺酰胺
  参考文献：
  名称：

  磺酰脲类除草剂可控降解的研究†

  摘要：

  为了寻求生态安全和环境友好的磺酰脲类除草剂（SU），首先建立了对结构/生物测定/土壤降解三因素关系的认识。在苯环的第5位引入各种基团（烷基，硝基，卤素，氰基等），设计，合成了氯磺隆的结构衍生物，并对其除草活性进行了评估。通过红外光谱，紫外光谱，1 H和13确认标题化合物的结构。13 C NMR，质谱，元素分析和X射线衍射。生物测定结果证实，与氯磺隆相比，大多数衍生物保留了其优异的除草活性。在设定条件下研究了每个分子的土壤降解行为后，发现在苯环第5位具有吸电子取代基的结构保留了较长的降解半衰期，但引入电子给体取代基可加速其降解半衰期。退化率。这些结果将为进一步探索SU和其他除草剂的潜在可控降解，以及发现有利于环境和生态可持续发展的新型除草剂提供有价值的线索。

  DOI：

  10.1039/c5ra25765d
• 作为试剂：
  描述：

  氯化亚砜 、 2-氯-5-硝基苯磺酸 、 N,N-二甲基甲酰胺 在 甲苯 、 磺酰氯 、 ammonium hydroxide 、 四氢呋喃 、 盐酸 、 正戊烷 、 2-氯-5-硝基苯磺酰胺 作用下， 反应 6.0h， 以to afford the desired product, 2-chloro-5-nitrobenzenesulfonamide (2.0 g, 8.48 mmol, 42.4% yield) as a solid的产率得到2-氯-5-硝基苯磺酰胺
  参考文献：
  名称：

  PYRRO[1,2-b]PYRIDAZINONE COMPOUNDS

  摘要：

  本发明涉及吡咯[1,2-b]吡啶嗪化合物及含有此类化合物的药物组合物，其在治疗丙型肝炎病毒感染方面具有用处。

  公开号：

  US20090105473A1

文献信息

• NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION
  申请人：Buckman Brad

  公开号：US20110152246A1

  公开（公告）日：2011-06-23

  The embodiments provide compounds of the general Formulae I, II, III, IV, or V as well as compositions, including pharmaceutical compositions, comprising a subject compound. The embodiments further provide treatment methods, including methods of treating a hepatitis C virus infection and methods of treating liver fibrosis, the methods generally involving administering to an individual in need thereof an effective amount of a subject compound or composition.

  实施例提供了一般式I、II、III、IV或V的化合物，以及包括药物组合物在内的组合物，其中包括一种主体化合物。实施例还提供了治疗方法，包括治疗丙型肝炎病毒感染的方法和治疗肝纤维化的方法，这些方法通常涉及向需要的个体施用一种主体化合物或组合物的有效量。
• METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS AND VIRAL INFECTIONS
  申请人：University College Dublin, National University of Ireland, Dublin

  公开号：US20160102051A1

  公开（公告）日：2016-04-14

  The invention generally relates to methods and compounds for treating proliferative disorders, viral infections, or both. In some embodiments, the invention provides an anticancer or antiviral compound including a substituted nitro phenoxy phenyl, a sulfonylurea, and an alkyl group. In some embodiments, the invention provides a method of treating a proliferative disorder or a viral infection including administering an anticancer or antiviral compound that binds to a thromboxane receptor, has preferential binding for either TPalpha (TPα) or TPbeta (TPβ) receptor subtype.

  这项发明通常涉及用于治疗增殖性疾病、病毒感染或两者的方法和化合物。在某些实施例中，该发明提供了一种抗癌或抗病毒化合物，包括一种取代硝基苯氧基苯基、磺酰脲和烷基。在某些实施例中，该发明提供了一种治疗增殖性疾病或病毒感染的方法，包括给予一种结合到血栓素A2受体、对TPalpha（TPα）或TPbeta（TPβ）受体亚型具有优先结合的抗癌或抗病毒化合物。
• [EN] A METHOD OF INHIBITING HEPATITIS C VIRUS BY COMBINATION OF A 5,6-DIHYDRO-1H-PYRIDIN-2-ONE AND ONE OR MORE ADDITIONAL ANTIVIRAL COMPOUNDS<br/>[FR] PROCÉDÉ D'INHIBITION DU VIRUS DE L'HÉPATITE C PAR COMBINAISON D'UNE 5,6-DIHYDRO-1H-PYRIDIN-2-ONE ET D'UN OU PLUSIEURS COMPOSÉS ANTIVIRAUX SUPPLÉMENTAIRES
  申请人：ANADYS PHARMACEUTICALS INC

  公开号：WO2010042834A1

  公开（公告）日：2010-04-15

  The invention is directed to a method of treating infections by hepatitis C virus by administering N-3-[(1R,2S,7R,8S)-3-(4-fluoro-benzyl)-6-hydroxy-4-oxo-3-aza-tricyclo[6.2.1.02,7]undec-5-en-5-yl]-1,1 -dioxo-l,4-dihydro-lλ6- benzo[l,2,4]thiadiazin-7-yl} -methanesulfonamide and one or more additional antiviral compounds or pharmaceutical compositions containing such compounds.

  本发明涉及一种治疗乙型肝炎病毒感染的方法，通过给予N-3-[(1R,2S,7R,8S)-3-(4-氟苯基)-6-羟基-4-氧代-3-氮杂三环[6.2.1.02,7]十一碳-5-烯-5-基]-1,1-二氧代-1,4-二氢-1λ6-苯并[1,2,4]噻二唑-7-基}-甲磺酰胺以及一个或多个附加的抗病毒化合物或含有此类化合物的药物组合物。
• NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES HAVING BOTH AROMATIC AND HALOGENIC SUBSTITUENTS
  申请人：Lori Franco

  公开号：US20140057911A1

  公开（公告）日：2014-02-27

  Certain 4,6-disubstituted aminopyrimidine derivatives having both aromatic and halogenic substituents.

  某些具有芳香族和卤素取代基的4,6-二取代氨基嘧啶衍生物。
• Anti-infective agents
  申请人：Hutchinson K. Douglas

  公开号：US20050107364A1

  公开（公告）日：2005-05-19

  Compounds having the formula are hepatitis C (HCV) polymerase inhibitors. Also disclosed are a composition and method for inhibiting hepatitis C (HCV) polymerase, processes for making the compounds, and synthetic intermediates employed in the processes.

  具有该公式的化合物是丙型肝炎（HCV）聚合酶抑制剂。还公开了一种用于抑制丙型肝炎（HCV）聚合酶的组成和方法，用于制造这些化合物的过程，以及在这些过程中使用的合成中间体。