2-溴苄胺

2-溴苄胺 基本信息
CAS号 3959-05-5 分子式 C7H8BrN
分子量 186.04900 精确质量  184.98400
PSA  26.02000 LogP  2.60810

基本信息 展开↓

CAS号:
3959-05-5
3D弹球模型:
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分子式:
C7H8BrN
分子量:
186.04900
中文名称:
2-溴苄胺
英文名称:
2-Bromobenzylamine
中文别名:
2-溴苄胺;
邻溴苄胺;
2-溴苯甲胺
英文别名:
2-Bromobenzylamine;
(2-bromophenyl)methanamine;
(2-Bromophenyl)methanamine
精确分子量/精确质量:
184.98400
极性分子表面积/PSA:
26.02000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00025572
InChI:
InChI=1/C7H8BrN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9H2

物化性质展开↓

密度:
1.481g/cm3
沸点:
118-119°C 9mm
闪点:
118-119°C/9mm
折射率:
1.5875-1.591
存储条件/存储方法:

 常温,避光,通风干燥处,密封保存

稳定性相关:

常温常压下稳定

安全信息展开↓

包装等级:
III
风险类别:
8
海关代码:
2921499090
危险类别码:
R21/22;R34
安全说明:
S45-S36/37/39-S26
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
:
危险标志:
C:Corrosive;

合成路线查看所有的合成路线

  • 2042-37-7

    2-溴苯腈

  • ~94%

  • 3959-05-5

    2-溴苄胺

  • 126799-87-9

    1-(azidomethyl)-2-bromobenzene

  • ~93%

  • 3959-05-5

    2-溴苄胺

  • 7726-95-6

    溴素

  • +

  • 103-81-1

    2-苯乙酰胺

  • 3959-05-5

    2-溴苄胺

  • +

  • 100-46-9

    苯甲胺

毒理性展开↓

生态数据:

通常对水是不危害的,若无政府许可,勿将材料排入周围环境。

MSDS 展开↓

Name: 2-Bromobenzylamine Material Safety Data Sheet
Synonym: None Known
CAS: 3959-05-5
Section 1 - Chemical Product   MSDS Name:2-Bromobenzylamine Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
3959-05-5 2-Bromobenzylamine ca. 100 unlisted
Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Causes burns.Corrosive.
Potential Health Effects
Eye:
Causes eye burns. May cause chemical conjunctivitis and corneal damage.
Skin:
Causes skin burns. May cause skin rash (in milder cases), and cold and clammy skin with cyanosis or pale color.
Ingestion:
May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. May cause perforation of the digestive tract. May cause systemic effects.
Inhalation:
Causes chemical burns to the respiratory tract. Aspiration may lead to pulmonary edema. May cause systemic effects.
Chronic:
Effects may be delayed.

Section 4 - FIRST AID MEASURES
  Eyes: Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
Notes to Physician:
Treat symptomatically and supportively.

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 water spray, dry chemical, carbon dioxide, or chemical foam.

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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Use only in a chemical fume hood. Discard contaminated shoes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area.

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# 3959-05-5: 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:
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.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Liquid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
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: C7H8BrN
Molecular Weight: 186.05

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not currently available.
Conditions to Avoid:
None reported.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 3959-05-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Bromobenzylamine - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
  Ecotoxicity:
Fish: Pseudomonas putida:

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

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:

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# 3959-05-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 3959-05-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3959-05-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2921499090

概述:
2921499090 其他芳香单胺及衍生物及它们的盐. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2921499090 other aromatic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据


1、摩尔折射率:42.39

2、摩尔体积(cm3/mol):125.6

3、等张比容(90.2K):323.6

4、表面张力(dyne/cm):44

5、介电常数:无可用的

6、极化率(10-24cm3):16.8

7、单一同位素质量:184.984004Da

8、标称质量:185Da

9、平均质量:186.0491Da

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