1,4-二氯-2-丁醇

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品
  • 表征图谱

1,4-二氯-2-丁醇 基本信息

中文名称:
1,4-二氯-2-丁醇 
中文别名:
1,4-二氯-2-丁醇;
二氯丁醇 
英文名称:
2-Butanol,1,4-dichloro-
英文别名:
1,4-DICHLORO-2-BUTANOL;
1,4-dichloro-butan-2-ol;
1,4-Dichlor-butan-2-ol;
DI CHLORIDE NORMAL BUTANOL;
Chlormethyl-(2-chlor-aethyl)-carbinol;
dichlorobutanol 
CAS No.:
2419-74-1
分 子 式:

C4H8Cl2O

分 子 量:
143.01
精确分子量:
141.99500
PSA:
20.23000
EINECS:
219-339-2
InChI:
InChI=1/C4H8Cl2O/c5-2-1-4(7)3-6/h4,7H,1-3H2
危险品标志:

 

风险术语:

 

安全术语:
分子结构式:
SDS:
查看

1,4-二氯-2-丁醇 制备方法及用途

制备方法

制备方法:将1,2,4-丁三醇和冰乙酸加入反应锅内,搅拌加热至100℃左右,通入干燥的氯化氢气体,在90-110℃反应0.5h,当尾气开始出现大量氯化氢时,检查反应终点,停通氯化氢。冷却后用饱和碳酸钠溶液洗涤,减压蒸馏,收集120-135℃(12.6-13.3kPa),得油状1,4-二氯-2-丁醇。收率50-60%。原料消耗定额:1,2,4-丁三醇2965kg/t、冰乙酸50kg/t、盐酸(工业品)7000kg/t。

合成制备方法

制备方法:将1,2,4-丁三醇和冰乙酸加入反应锅内,搅拌加热至100℃左右,通入干燥的氯化氢气体,在90-110℃反应0.5h,当尾气开始出现大量氯化氢时,检查反应终点,停通氯化氢。冷却后用饱和碳酸钠溶液洗涤,减压蒸馏,收集120-135℃(12.6-13.3kPa),得油状1,4-二氯-2-丁醇。收率50-60%。原料消耗定额:1,2,4-丁三醇2965kg/t、冰乙酸50kg/t、盐酸(工业品)7000kg/t。

用途简介

医药中间体

用途

医药中间体

1,4-二氯-2-丁醇 物化性质

密度:
1.241 g/cm3
沸点:
227.7ºC at 760 mmHg
闪点:
103.7ºC
折射率:
1.463
蒸汽压:
0.0149mmHg at 25°C
存储条件/存储方法:

避光密封保存

 用铁罐包装,每罐1kg,内衬聚乙烯袋。贮存于阴凉、通风处,避光、避热,远离火源。按易燃有毒化学品规定贮运。

稳定性相关:

1.常温常压下稳定,避免氧化物,光接触

2.有毒,有腐蚀性,刺激黏膜和皮肤。生产设备应密闭,防止泄漏,操作人员应配戴防护用具,避免与人体直接接触。参见β,β,β-三氯叔丁醇。

其它信息:

1.      性状:无色透明或浅棕色透明液体,

2.      密度(g/mL, ,20℃):1.29

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):未确定

6.      沸点(ºC 30mmHg):未确定

7.      折射率(nD20):1.4882

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,20ºC):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:溶于乙醇、乙醚、苯,不溶于水

1,4-二氯-2-丁醇 安全信息

海关代码:
2905590090

1,4-二氯-2-丁醇 毒理性

生态数据:

对水是稍微有害的,不要让未稀释或大量的产品接触地下水,水道或者污水系统,若无政府许可,勿将材料排入周围环境

1,4-二氯-2-丁醇 MSDS

  1,4-Dichloro-2-butanol      Revision number: 5    
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        1,4-Dichloro-2-butanol    
    
  Revision number:        5    

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS        Not classified    
  HEALTH HAZARDS
  Acute toxicity (Oral)        Category 4    
    Category 4
  Acute toxicity (Dermal)
  Acute toxicity (Inhalation)        Category 4    
    Category 2
  Skin corrosion/irritation
  Serious eye damage/eye irritation        Category 2A    
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
  Signal word        Warning    
    Harmful if swallowed, in contact with skin or if inhaled
  Hazard statements
    Causes skin irritation
    Causes serious eye irritation
  Precautionary statements:
    Avoid breathing dust/fume/gas/mist/vapours/spray.
  [Prevention]
    Use only outdoors or in a well-ventilated area.
    Do not eat, drink or smoke when using this product.
    Wash hands thoroughly after handling.
    Wear protective gloves and eye/face protection.
  [Response]        IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for    
    breathing. Call a POISON CENTER or doctor/physician if you feel unwell.
    IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell.
    Rinse mouth.
    IF IN EYES: 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.
    IF ON SKIN: Gently wash with plenty of soap and water.
    If skin irritation occurs: Get medical advice/attention.
    Wash contaminated clothing before reuse.
    Call a POISON CENTER or doctor/physician if you feel unwell.
  1,4-Dichloro-2-butanol

Section 2. HAZARDS IDENTIFICATION
  [Disposal]        Dispose of contents/container through a waste management company authorized by    
    the local government.

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Components:        1,4-Dichloro-2-butanol    
    >97.0%(GC)
  Percent:
  CAS Number:        2419-74-1    
  Chemical Formula:        C4H8Cl2O    

Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.    
    Call a POISON CENTER or doctor/physician if you feel unwell.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Gently wash with plenty of    
    soap and water. If skin irritation or rash occurs: Get medical advice/attention.
    Rinse cautiously with water for several minutes. Remove contact lenses, if present
  Eye contact:
    and easy to do. Continue rinsing. If eye irritation persists: Get medical
    advice/attention.
  Ingestion:        Call a POISON CENTER or doctor/physician if you feel unwell. Rinse mouth.    
  Protection of first-aiders:        A rescuer should wear personal protective equipment, such as rubber gloves and air-    
    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
    generate poisonous fume.
  from the chemical:
  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: Remove movable
    containers 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 a suitable absorbent (e.g. rag, dry sand, earth, saw-dust).
  containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected
  up: material should be promptly disposed of, in accordance with appropriate laws and
    regulations.

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. Wash hands and face thoroughly after
    handling.
    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
    Keep container tightly closed. Store in a cool and dark place.
  Storage conditions:
  1,4-Dichloro-2-butanol

Section 7. HANDLING AND STORAGE
    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 as possible so that workers should not be    
    exposed directly. Also install safety shower and eye bath.
  Personal protective equipment
  Respiratory protection: Vapor respirator. Follow local and national regulations.
  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 - Slightly 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:
    No data available
  Lower:
  Upper:        No data available    
    1.29
  Relative density:
  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:
  Incompatible materials: Oxidizing agents
  Hazardous decomposition Carbon monoxide, Carbon dioxide, Hydrogen chloride
  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:
  Fish:        No data available    
    No data available
  Crustacea:
  Algae:        No data available    
  Persistence / degradability: No data available
  1,4-Dichloro-2-butanol

Section 12. ECOLOGICAL INFORMATION
  Bioaccumulative        No data available    
  potential(BCF):
  Mobility in soil
    No data available
  Log Pow:
  Soil adsorption (Koc):        No data available    
    No data available
  Henry's Law
  constant(PaM3/mol):

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
    Does not correspond to the classification standard of the United Nations
  Hazards Class:
  UN-No:        Not listed    

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

1,4-二氯-2-丁醇 海关数据

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%

1,4-二氯-2-丁醇 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:31.77

2、   摩尔体积(cm3/mol):115.2

3、   等张比容(90.2K):282.2

4、   表面张力(dyne/cm):36.0

5、   极化率(10-24cm3):12.59

计算化学数据

1.疏水参数计算参考值(XlogP):1.1

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:3

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:7

8.表面电荷:0

9.复杂度:40.7

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

1,4-二氯-2-丁醇 下游产品

1,4-二氯-2-丁醇 表征图谱

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