3-氨基-4-氯-N-(2-氰基乙基)-苯磺酰胺 | 64415-13-0

• 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: 3-氨基-4-氯-N-(2-氰基乙基)-苯磺酰胺
• 英文名称: 3-Amino-4-chloro-N-(2-cyanoethyl)benzenesulfonamide
• CAS: 64415-13-0
• 化学式: C₉H₁₀ClN₃O₂S
• mdl: MFCD00007670
• 分子量: 259.716
• InChiKey: DNMYCTLTLUHRRT-UHFFFAOYSA-N

物化性质

• 熔点：
  96°C
• 密度：
  1.4243 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S23
• 危险类别码：
  R20/21
• 海关编码：
  2935009090

SDS

Name:	3-Amino-4-Chloro-N-(2-Cyanoethyl)-Benzene Sulfonamide 98% Material Safety Data Sheet
Synonym:	None known
CAS:	64415-13-0

Section 1 - Chemical Product MSDS Name:3-Amino-4-Chloro-N-(2-Cyanoethyl)-Benzene Sulfonamide 98% Material Safety Data Sheet
Synonym:None known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
64415-13-0	3-Amino-4-Chloro-N-(2-Cyanoethyl)-Benz	98	264-879-4

Hazard Symbols: XN
Risk Phrases: 20/21

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation and in contact with skin.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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:

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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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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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# 64415-13-0: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: very light beige
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 95.00 - 97.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C9H10ClN3O2S
Molecular Weight: 259.70

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, oxides of nitrogen, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 64415-13-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Amino-4-Chloro-N-(2-Cyanoethyl)-Benzene Sulfonamide - 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 20/21 Harmful by inhalation and in contact with
skin.
Safety Phrases:
S 23 Do not inhale gas/fumes/vapour/spray.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 64415-13-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 64415-13-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 64415-13-0 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：

  5-Chloro-2-(4-chloro-phenylsulfonylamino)-benzoyl chloride 、 3-氨基-4-氯-N-(2-氰基乙基)-苯磺酰胺 生成 5-Chloro-2-(4-chloro-phenylsulfonylamino)-N-(2-chloro-5-(2-cyano-ethylsulfamoyl)-phenyl)-benzamide
  参考文献：
  名称：

  Sulfur substituted sulfonylaminocarboxylic acid N-arylamides, their preparation, their use and pharmaceutical preparations comprising them

  摘要：

  本发明涉及以下式I的化合物，其中A1、A2、R1、R2、R3、X和n如权利要求中所定义，这些化合物是有价值的药用活性化合物，可用于治疗和预防疾病，例如心血管疾病，如高血压、心绞痛、心力衰竭、血栓形成或动脉粥样硬化。式I的化合物能够调节体内环鸟苷酸单磷酸（cGMP）的产生，并且通常适用于治疗和预防与破坏cGMP平衡有关的疾病。此外，本发明还涉及制备式I化合物的方法，它们用于治疗和预防上述疾病以及用于制备用途的药物，以及包含式I化合物的药物制剂。

  公开号：

  US06335334B1

文献信息

• COMBINATORIAL PROCESS FOR PREPARING TETRAHYDROQUINOLINE LIBRARIES
  申请人：ELI LILLY AND COMPANY

  公开号：EP1019720A1

  公开（公告）日：2000-07-19
• [EN] COMBINATORIAL PROCESS FOR PREPARING TETRAHYDROQUINOLINE LIBRARIES<br/>[FR] METHODE COMBINATOIRE AUX FINS DE L'ELABORATION DE BANQUES DE TETRAHYDROQUINOLEINE
  申请人：ELI LILLY AND COMPANY

  公开号：WO1998027427A1

  公开（公告）日：1998-06-25

  (EN) This invention relates to a novel diverse combinatorial library of tetrahydroquinoline compounds and to an apparatus providing a readily accessible source of individual members of the library. The apparatus can be used in assay kits and as a replaceable element in automated assay machines.(FR) Cette invention a trait à une nouvelle banque combinatoire diverse de composés de tétrahydroquinoléine ainsi qu'à un dispositif permettant d'accéder facilement à une source d'individualités de cette banque. Le dispositif peut être utilisé dans des nécessaires à épreuves biologiques en tant qu'élément remplaçable de machines automatiques à épreuves biologiques.