(5-氯-1-苯并噻吩-3-基)甲胺 | 71625-90-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 中文名称: (5-氯-1-苯并噻吩-3-基)甲胺
• 英文名称: (5-chlorobenzo[b]thiophen-3-yl)methanamine
• 英文别名: (5-chloro-1-benzothiophen-3-yl)methanamine
• CAS: 71625-90-6
• 化学式: C₉H₈ClNS
• mdl: MFCD02677713
• 分子量: 197.688
• InChiKey: VRNXLYAXYIHHHH-UHFFFAOYSA-N

物化性质

• 沸点：
  160-162°C 2mm
• 密度：
  1.363±0.06 g/cm3 (20 ºC 760 Torr)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  54.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R34
• 海关编码：
  2934999090
• 危险品运输编号：
  UN 2735

SDS

Name:	(5-Chloro-1-benzothiophen-3-yl)methylamine 97% Material Safety Data Sheet
Synonym:
CAS:	71625-90-6

Section 1 - Chemical Product MSDS Name:(5-Chloro-1-benzothiophen-3-yl)methylamine 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
71625-90-6	(5-Chloro-1-benzothiophen-3-yl)methyla		unlisted

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes severe eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
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 immediately.
Skin:
Get medical aid immediately. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

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

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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# 71625-90-6: 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: Liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 160 - 162 deg C @2mmHg
Freezing/Melting Point: Not available.
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: C9H8ClNS
Molecular Weight: 198

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, acids, acid chlorides.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 71625-90-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(5-Chloro-1-benzothiophen-3-yl)methylamine - 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: AMINES, LIQUID, CORROSIVE, N.O.S.*
Hazard Class: 8
UN Number: 2735
Packing Group: III
IMO
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing Group: III
RID/ADR
Shipping Name: AMINES, LIQUID, CORROSIVE, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
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.
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# 71625-90-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 71625-90-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 71625-90-6 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-氯-1-苯并噻吩-3-基)甲胺 在 磺酰胺 作用下， 以 1,4-二氧六环 为溶剂， 反应 4.0h， 生成 N-[(5-chlorobenzo[b]thien-3-yl)methyl]-sulfamide
  参考文献：
  名称：

  CO-THERAPY FOR THE TREATMENT OF EPILEPSY AND RELATED DISORDERS

  摘要：

  本发明涉及一种治疗癫痫和相关疾病的方法，包括向需要的受试者施用本文描述的苯并杂环磺酰胺衍生物的治疗有效剂量，以及一种或多种抗惊厥和/或抗癫痫药物的治疗有效剂量的联合治疗。

  公开号：

  US20070293476A1
• 作为产物：
  描述：

  3-溴甲基-5-氯苯并噻吩 在 potassium carbonate 、 一水合肼 作用下， 以 四氢呋喃 、 二氯甲烷 、 乙腈 为溶剂， 生成 (5-氯-1-苯并噻吩-3-基)甲胺
  参考文献：
  名称：

  [EN] THERAPEUTIC INHIBITORY COMPOUNDS
  [FR] COMPOSÉS INHIBITEURS THÉRAPEUTIQUES

  摘要：

  该发明提供了Formula I和Formula II的化合物：A-B-C-D-E-F-G-J (I)和C-D-E-F-G-J (II)，其中A、B、C、D、E、F、G和J具有规范中定义的任何值，以及它们的盐。这些化合物对抑制血浆激肽酶和治疗动物中需要抑制血浆激肽酶的疾病或症状是有用的。

  公开号：

  WO2015103317A1

文献信息

• [EN] NOVEL PHENYL IMIDAZOLES AND PHENYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS<br/>[FR] NOUVEAUX PHÉNYL IMIDAZOLES ET PHÉNYL TRIAZOLES EN TANT QUE MODULATEURS DE LA GAMMA SÉCRÉTASE
  申请人：PFIZER

  公开号：WO2010100606A1

  公开（公告）日：2010-09-10

  Compounds and pharmaceutically acceptable salts of the compounds are disclosed, wherein the compounds have the structure of Formula (I) as defined in the specification. Corresponding pharmaceutical compositions, methods of treatment, methods of synthesis, and intermediates are also disclosed.

  所述化合物及其药用可接受盐已被披露，其中所述化合物具有规范中定义的Formula (I)的结构。相应的药物组合物、治疗方法、合成方法和中间体也已被披露。
• PLASMA KALLIKREIN INHIBITORS AND USES THEREOF
  申请人：Shire Human Genetic Therapies, Inc.

  公开号：US20210078999A1

  公开（公告）日：2021-03-18

  The present invention provides compounds and compositions thereof which are useful as inhibitors of plasma kallikrein and which exhibit desirable characteristics for the same.

  本发明提供了作为血浆激肽酶抑制剂并具有相同理想特性的化合物及其组合物。
• Aminoalkyl-pyrazinones and -pyridones as thrombin inhibitors
  申请人：Graffinity Pharmaceuticals Aktiengesellschaft

  公开号：EP1526131A1

  公开（公告）日：2005-04-27

  The invention relates to compounds of formula (I) wherein A, B, X, R1, R2, G, R3, D and E have the meaning as cited in the description and the claims. Said compounds are useful as coagulants. The invention also relates to the production and use thereof as medicament.

  这项发明涉及式(I)的化合物 其中A、B、X、R1、R2、G、R3、D和E的含义如描述和权利要求中所述。所述化合物可用作凝血剂。该发明还涉及其作为药物的生产和使用。
• Novel benzo-fused heteroaryl sulfamide derivatives useful as anticonvulsant agents
  申请人：Parker H. Michael

  公开号：US20060047001A1

  公开（公告）日：2006-03-02

  The present invention is directed to novel benzo-fused heteroaryl sulfamide derivatives, pharmaceutical compositions containing them and their use in the treatment of epilepsy and related disorders.

  本发明涉及新型苯并杂环磺酰胺衍生物，含有它们的药物组合物以及它们在治疗癫痫和相关疾病中的应用。
• Use of Benzo-Heteroaryl Sulfamide Derivatives for the Treatment of Mania and Bipolar Disorder
  申请人：Smith-Swintosky Virginia L.

  公开号：US20070191450A1

  公开（公告）日：2007-08-16

  The present invention is a method for the treatment of mania and/or bipolar disorder comprising administering to a subject in need thereof a therapeutically effective amount of one or more novel benzo-heteroaryl sulfamide derivatives of formula (I) as herein defined.

  本发明是一种治疗躁狂症和/或双相情感障碍的方法，包括向需要的受试者施用一种或多种新型苯并杂环磺酰胺衍生物的治疗有效量，其化学式如下所定义。