溴丁醇

溴丁醇 基本信息
CAS号 2482-57-7 分子式 C4H9BrO
分子量 153.01800 精确质量  151.98400
PSA  20.23000 LogP  1.15220

基本信息 展开↓

CAS号:
2482-57-7
3D弹球模型:
立即前往扯扯看
分子式:
C4H9BrO
分子量:
153.01800
中文名称:
溴丁醇
英文名称:
1-bromobutan-2-ol
中文别名:
溴丁醇;
1,2-丁烷溴醇;
1-溴-2-丁醇
英文别名:
1-bromobutan-2-ol;
1,2-Butane Bromohydrin;
2-Butanol,1-bromo;
1-Brom-butan-2-ol;
1-bromo-butan-2-ol;
1-bromo-2-hydroxybutane;
1-BroMo-2-butanol;
1-Bromo-2-butanol
精确分子量/精确质量:
151.98400
极性分子表面积/PSA:
20.23000
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。
InChI:
The Key: DMRXISNUOWIOKV-UHFFFAOYSA-N

物化性质展开↓

密度:
1.46
沸点:
165.9ºC at 760 mmHg
闪点:
65.9ºC
折射率:
1.476
蒸汽压:
0.612mmHg at 25°C
其它信息:

1.      性状:未确定

2.      密度(g/mL, ,20℃):1.46

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):未确定

5.      沸点(ºC,常压):6215

6.      沸点(ºC 0.1mmHg):未确定

7.      常温折射率(n20):1.4765

8.      闪点(ºC):未确定

9.      比旋光度():未确定

10.   自燃点或引燃温度(ºC):未确定

11.   蒸气压(Pa,20ºC):未确定

12.   饱和蒸气压(kPa, 0ºC):未确定

13.   燃烧热(KJ/mol):未确定

14.   临界温度(ºC):未确定

15.   临界压力(KPa):未确定

16.   油水(辛醇/水)分配系数的对数值:未确定

17.   爆炸上限(%,V/V):未确定

18.   爆炸下限(%,V/V):未确定

19.   溶解性:未确定

安全信息展开↓

海关代码:
2905590090
危险类别码:
36/37/38
安全说明:
26-36/37/39
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。
:

合成路线查看所有的合成路线

  • 106-88-7

    1,2-环氧丁烷

  • ~96%

  • 2482-57-7

    溴丁醇

  • 558-13-4

    四溴化碳

  • +

  • 584-03-2

    1,2-丁二醇

  • ~92%

  • 2482-57-7

    溴丁醇

  • 40348-66-1

    (R)-1,2-丁二醇

  • +

  • 10035-10-6

    氢溴酸

  • 2482-57-7

    溴丁醇

化学图谱

  1. 1-溴-2-丁醇红外图谱(IR1)

  2. 1-溴-2-丁醇质谱(MS)

  3. 1-溴-2-丁醇核磁图(13CNMR)

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MSDS 展开↓

  1-Bromo-2-butanol (contains ca. 20% 2-Bromo-1-
  butanol)
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        1-Bromo-2-butanol (contains ca. 20% 2-Bromo-1-butanol)    

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS
    Category 3
  Flammable liquids
  HEALTH HAZARDS        Not classified    
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
  Signal word        Warning    
    Flammable liquid and vapour
  Hazard statements
  Precautionary statements:
    Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
  [Prevention]
    Keep container tightly closed.
    Use explosion-proof electrical/ventilating/lighting equipment. Take precautionary
    measures against ignition by the static discharge and the spark.
    Wear protective gloves/eye protection/face protection.
  [Response]        IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse    
    skin with water/shower.
  [Storage]        Store in a well-ventilated place. Keep cool.    
  [Disposal]        Dispose of contents/container through a waste management company authorized by    
    the local government.

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
    1-Bromo-2-butanol (contains ca. 20% 2-Bromo-1-butanol)
  Components:
  Percent:        >73.0%(GC)    
    2482-57-7
  CAS Number:
  Synonyms:        1,2-Butane Bromohydrin (contains ca. 20% 2-Bromo-1-butanol)    
  Chemical Formula:        C4H9BrO    

Section 4. FIRST AID MEASURES
    Remove victim to fresh air and keep at rest in a position comfortable for breathing.
  Inhalation:
    Get medical advice/attention if you feel unwell.
  1-butanol)

Section 4. FIRST AID MEASURES
  Skin contact:        Remove/Take off immediately all contaminated clothing. Rinse skin with    
    water/shower. If skin irritation or rash occurs: Get medical advice/attention.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present    
    and easy to do. Continue rinsing. If eye irritation persists: Get medical
    advice/attention.
  Ingestion:        Get medical advice/attention if you feel unwell. Rinse mouth.    
    A rescuer should wear personal protective equipment, such as rubber gloves and air-
  Protection of first-aiders:
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, water spray, carbon dioxide.    
  media:
  Unsuitable extinguishing Solid streams of water
  media:
  Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
  from the chemical:        generate poisonous fume.    
  Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Keep containers cool by
    spraying with water. Eliminate all ignition sources if safe to do so.
  Special protective        When extinguishing fire, be sure to wear personal protective equipment.    
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions,        Use personal protective equipment. Keep people away from and upwind of spill/leak.    
  protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled
  emergency procedures: around the leakage area by roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Absorb spilled material in dry sand or inert absorbent before recovering it into an
  containment and cleaning airtight container. In case of large amount of spillage, contain a spill by bunding.
  up: Adhered or collected material should be promptly disposed of, in accordance with
    appropriate laws and regulations.
  Prevention of secondary Remove all sources of ignition. Fire-extinguishing devices should be prepared in
  hazards:        case of a fire. Use spark-proof tools and explosion-proof equipment.    

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.    
    Prevent generation of vapour or mist. Keep away from heat/sparks/open flame/hot
    surfaces. -No smoking. Take measures to prevent the build up of electrostatic
    charge. Use explosion-proof equipment. Wash hands and face thoroughly after
    handling.
    Use a closed system if possible. Use a ventilation, local exhaust if vapour or aerosol
    will be generated.
  Advice on safe handling: Avoid contact with skin, eyes and clothing.
  Conditions for safe storage, including any
  incompatibilities
  Storage conditions:        Keep container tightly closed. Store in a cool, dark and well-ventilated place.    
    Store away from incompatible materials such as oxidizing agents.
  Packaging material:        Comply with laws.    

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Engineering controls:        Install a closed system or local exhaust. Also install safety shower and eye bath.    
  Personal protective equipment
  Respiratory protection: Vapor respirator. Follow local and national regulations.
  1-butanol)

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Hand protection:        Protective gloves.    
  Eye protection:        Safety glasses. A face-shield, if the situation requires.    
  Skin and body protection: Protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Liquid    
  Form:        Clear    
  Colour:        Colorless - Pale yellow    
  Odour:        No data available    
  pH: No data available
  Melting point/freezing point:No data available
  Boiling point/range:        No data available    
  Flash point:        No data available    
  Flammability or explosive
  limits:
  Lower:        No data available    
  Upper:        No data available    
  Relative density:        1.46    
  Solubility(ies):
  [Water]        No data available    
  [Other solvents]        No data available    

Section 10. STABILITY AND REACTIVITY
    Stable under proper conditions.
  Chemical stability:
  Possibility of hazardous No special reactivity has been reported.
  reactions:
  Conditions to avoid:        Spark, Open flame, Static discharge    
  Incompatible materials: Oxidizing agents
  Hazardous decomposition Carbon monoxide, Carbon dioxide, Hydrogen bromide
  products:

Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        No data available    
  Skin corrosion/irritation: No data available
  Serious eye        No data available    
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
  IARC =        No data available    
  NTP =        No data available    
  Reproductive toxicity:        No data available    

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
    No data available
  Fish:
  Crustacea:        No data available    
    No data available
  Algae:
  Persistence / degradability: No data available
    No data available
  Bioaccumulative
  potential(BCF):
  Mobility in soil
  Log Pow:        No data available    
    No data available
  Soil adsorption (Koc):
  Henry's Law        No data available    
  constant(PaM3/mol):
  1-butanol)

Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical
    incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when
    disposing of the substance.

Section 14. TRANSPORT INFORMATION
  Hazards Class:        3: Flammable liquid.    
    1993
  UN-No:
  Proper shipping name:        Flammable liquid, n.o.s.    
    III
  Packing group:

Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
  and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
    loading and unloading were prescribed.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2905590090

概述:
2905590090 其他无环醇的卤化、磺化等衍生物。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%
申报要素:
品名, 成分含量, 用途, 包装
摘要/Summary:
2905590090 other halogenated, sulphonated, nitrated or nitrosated derivatives of acyclic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。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:29.80

2、   摩尔体积(cm3/mol):105.6

3、   等张比容(90.2K):257.5

4、   表面张力(dyne/cm):35.3

5、 极化率(10-24cm3):11.81

计算化学数据


1.疏水参数计算参考值(XlogP):1.3

2.氢键供体数量:1

3.氢键受体数量:1

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积20.2

7.重原子数量:6

8.表面电荷:0

9.复杂度:30.7

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:1

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

上下游相关产品

上游产品

更多
  • 558-13-4

    四溴化碳

  • 584-03-2

    1,2-丁二醇

  • 106-88-7

    1,2-环氧丁烷

  • 106-98-9

    1-丁烯

  • 40348-66-1

    (R)-1,2-丁二醇

下游产品

更多
  • 4221-99-2

    (S)-(+)-2-丁醇

  • 4784-77-4

    1-溴-2-丁烯

  • 31844-98-1

    1-溴-1-丁烯成品

  • 816-40-0

    溴丁酮

  • 106-88-7

    1,2-环氧丁烷

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