(2-溴-3-噻吩基)甲胺 | 157664-47-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: (2-溴-3-噻吩基)甲胺
• 中文别名: 2-溴噻吩-3-甲胺
• 英文名称: (2-bromothiophen-3-yl)methylamine
• 英文别名: (2-bromothien-3-yl)methanamine；3-aminomethyl-2-bromothiophene；(2-Bromo-3-Thienyl)Methylamine；(2-bromothiophen-3-yl)methanamine
• CAS: 157664-47-6
• 化学式: C₅H₆BrNS
• mdl: MFCD02180914
• 分子量: 192.079
• InChiKey: SLKZUJBSIKGHFU-UHFFFAOYSA-N

物化性质

• 熔点：
  199 °C
• 沸点：
  70°C 0,01mm
• 密度：
  1.669
• 闪点：
  102℃

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  54.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  6.1
• 危险品标志：
  Xi,C
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R20/21/22,R34
• 海关编码：
  2934999090
• WGK Germany：
  3

SDS

Name:	(2-Bromo-3-thienyl)methylamine 97% Material Safety Data Sheet
Synonym:	2-Bromo-3-methylaminothiophen
CAS:	157664-47-6

Section 1 - Chemical Product MSDS Name:(2-Bromo-3-thienyl)methylamine 97% Material Safety Data Sheet
Synonym:2-Bromo-3-methylaminothiophen

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
157664-47-6	(2-Bromo-3-thienyl)methylamine	97%	unlisted

Hazard Symbols: C
Risk Phrases: 20/21/22 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed. Causes burns.Air sensitive.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Harmful if absorbed through the skin. Causes skin burns.
Ingestion:
Harmful if swallowed. Causes gastrointestinal tract burns.
Inhalation:
Harmful if inhaled. Causes chemical burns to the respiratory tract.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately 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. 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:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area. Store under nitrogen.

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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# 157664-47-6: 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: Viscous liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 70 deg C @0.01mmHg
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: C5H6BrNS
Molecular Weight: 192

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, moisture, exposure to air, contact with water.
Incompatibilities with Other Materials:
Oxidizing agents, acids, acid chlorides.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide, hydrogen bromide, ammonia, bromine.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 157664-47-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(2-Bromo-3-thienyl)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: CORROSIVE LIQUID, TOXIC, N.O.S.*
Hazard Class: 8 (6.1)
UN Number: 2922
Packing Group: III
IMO
Shipping Name: CORROSIVE LIQUID, TOXIC, N.O.S.
Hazard Class: 8 (6.1)
UN Number: 2922
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE LIQUID, TOXIC, N.O.S.
Hazard Class: 8 (6.1)
UN Number: 2922
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 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
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# 157664-47-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 157664-47-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 157664-47-6 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：

  6-氯嘌呤核苷 、 (2-溴-3-噻吩基)甲胺 在 diisopropylethylamine 作用下， 以 乙醇 为溶剂， 反应 0.33h， 生成 N⁶-[(2-bromothien-3-yl)methyl]adenosine
  参考文献：
  名称：

  [EN] COMPOUNDS FOR USE IN PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES AND PAIN
  [FR] COMPOSÉS DESTINÉS À ÊTRE UTILISÉS DANS LA PRÉVENTION ET LE TRAITEMENT DE MALADIES NEURODÉGÉNÉRATIVES ET DE LA DOULEUR

  摘要：

  揭示了用于预防和治疗神经退行性疾病和疼痛的化合物。在发明的一个实施例中，该化合物被选择自N6-[(3-卤噻吩-2-基)甲基]腺苷、N6-[(4-卤噻吩-2-基)甲基]腺苷和N6-[(5-卤噻吩-2-基)甲基]腺苷所组成的组中。在发明的另一个实施例中，该化合物被选择自N6-[(2-溴噻吩-3-基)甲基]腺苷、N6-[(4-溴噻吩-3-基)甲基]腺苷、N6-[(5-溴噻吩-3-基)甲基]腺苷、N6-[(2-氯噻吩-3-基)甲基]腺苷、N6-[(4-氯噻吩-3-基)甲基]腺苷和N6-[(5-氯噻吩-3-基)甲基]腺苷所组成的组中。还公开了制备和使用这些化合物的方法。

  公开号：

  WO2015061426A1
• 作为产物：
  描述：

  2-溴-3-溴甲基噻吩 在 一水合肼 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.17h， 生成 (2-溴-3-噻吩基)甲胺
  参考文献：
  名称：

  Finch, Harry; Reece, Donald H.; Sharp, John T., Journal of the Chemical Society. Perkin transactions I, 1994, # 9, p. 1193 - 1204

  摘要：

  DOI：

文献信息

• [EN] COMPOUNDS FOR USE IN PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES AND PAIN<br/>[FR] COMPOSÉS DESTINÉS À ÊTRE UTILISÉS DANS LA PRÉVENTION ET LE TRAITEMENT DE MALADIES NEURODÉGÉNÉRATIVES ET DE LA DOULEUR
  申请人：ACADEMIA SINICA

  公开号：WO2015061426A1

  公开（公告）日：2015-04-30

  Compounds for use in prevention and treatment of neurodegenerative disease and pain are disclosed. In one embodiment of the invention, the compound is selected from the group consisting of N6-[(3-halothien-2-yl)methyl]adenosine, N6-[(4-halothien-2-yl)methyl]adenosine, and N6-[(5-halothien-2-yl)methyl]adenosine. In another embodiment of the invention, the compound is selected from the group consisting of N6-[(2-bromothien-3-yl)methyl]adenosine, N6-[(4-bromothien-3-yl)methyl]adenosine, N6-[(5-bromothien-3-yl)methyl]adenosine N6-[(2-chlorothien-3-yl)methyl]adenosine, N6-[(4-chlorothien-3-yl)methyl]adenosine, and N6-[(5-chlorothien-3-yl)methyl]adenosine. Also disclosed are methods of making and using the same.

  揭示了用于预防和治疗神经退行性疾病和疼痛的化合物。在发明的一个实施例中，该化合物被选择自N6-[(3-卤噻吩-2-基)甲基]腺苷、N6-[(4-卤噻吩-2-基)甲基]腺苷和N6-[(5-卤噻吩-2-基)甲基]腺苷所组成的组中。在发明的另一个实施例中，该化合物被选择自N6-[(2-溴噻吩-3-基)甲基]腺苷、N6-[(4-溴噻吩-3-基)甲基]腺苷、N6-[(5-溴噻吩-3-基)甲基]腺苷、N6-[(2-氯噻吩-3-基)甲基]腺苷、N6-[(4-氯噻吩-3-基)甲基]腺苷和N6-[(5-氯噻吩-3-基)甲基]腺苷所组成的组中。还公开了制备和使用这些化合物的方法。
• TW2018/28950
  申请人：——

  公开号：——

  公开（公告）日：——
• TWI650328
  申请人：——

  公开号：——

  公开（公告）日：——
• Finch, Harry; Reece, Donald H.; Sharp, John T., Journal of the Chemical Society. Perkin transactions I, 1994, # 9, p. 1193 - 1204
  作者：Finch, Harry、Reece, Donald H.、Sharp, John T.

  DOI：——

  日期：——