1-氯-3-氟-2-丙醇

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学

1-氯-3-氟-2-丙醇 基本信息

中文名称:
1-氯-3-氟-2-丙醇 
中文别名:
1-氯-3-氟-2-丙醇;
1-氯-3-氟-2-丙醇,95%;
1-氯-3-氟异丙醇 
英文名称:
2-Propanol,1-chloro-3-fluoro-
英文别名:
1-CHLORO-3-FLUOROISOPROPANOL;
1-Chlor-3-fluor-propan-2-ol;
1-chloro-3-fluoro-2-propano;
1-chloro-3-fluoro-propan-2-ol;
1-Chloro-3-fluoro-2-propanol;
1-chloro-3-fluoro-2-propanol;
chloro-1 fluoro-3 propanol-2;
2-propanol,1-chloro-3-fluoro;
1-fluoro-3-chloro-isopropanol 
CAS No.:
453-11-2
分 子 式:

C3H6ClFO

分 子 量:
112.53
精确分子量:
112.00900
PSA:
20.23000
MDL:
MFCD00045284
EINECS:
000-000-0
BRN:
1732501
InChI:
The Key: ZNKJYZHZWALQNX-UHFFFAOYSA-N
危险品标志:

 

风险术语:

R10; R20/21/22;

安全术语:

S23; S36/37;

分子结构式:
SDS:
查看

1-氯-3-氟-2-丙醇 制备方法及用途

制备方法

1、以二甘醇为溶剂,于118℃加热回流环氧氯丙烷与氟化氢-氟化钾混合物。2、反应后,经减压蒸馏得鼠甘伏。或采用环氧氯丙烷与KHF2在二甘醇中于160~170℃反应,经减压和常压蒸馏制得鼠甘伏。

合成制备方法

1、以二甘醇为溶剂,于118℃加热回流环氧氯丙烷与氟化氢-氟化钾混合物。

2、
反应后,经减压蒸馏得鼠甘伏。
或采用环氧氯丙烷与KHF2在二甘醇中于160~170℃反应,经减压和常压蒸馏制得鼠甘伏。

用途简介

高毒、速效氟醇类杀鼠剂。主要用于野外灭鼠,尤其适用于草原牧区。能通过皮肤吸收,可经消化系统、呼吸系统或皮肤接触致鼠中毒死亡。使用含量 6%,用于住宅、仓库、轮船等灭鼠时,将毒饵投入于鼠洞内(旁)或鼠经常活动的地方,每间房间投放4堆,每堆5~10g,田间灭鼠时每洞10g,投药后24h可见死鼠,2~4d出现高峰,4d后控制鼠患。

用途

高毒、速效氟醇类杀鼠剂。主要用于野外灭鼠,尤其适用于草原牧区。能通过皮肤吸收,可经消化系统、呼吸系统或皮肤接触致鼠中毒死亡。使用含量0.6%,用于住宅、仓库、轮船等灭鼠时,将毒饵投入于鼠洞内(旁)或鼠经常活动的地方,每间房间投放4堆,每堆5~10g,田间灭鼠时每洞10g,投药后24h可见死鼠,2~4d出现高峰,4d后控制鼠患。

1-氯-3-氟-2-丙醇 物化性质

密度:
1.3
沸点:
158.1ºC at 760mmHg
闪点:
49.4ºC
折射率:
1.438
蒸汽压:
0.951mmHg at 25°C
存储条件/存储方法:
库房通风低温干燥,与食品原料分开储运
稳定性相关:

按规格使用和贮存,不会发生分解,避免与氧化物接触

其它信息:

1.       性状:无色或微黄色液体

2.       密度(g/ m3,25/4):1.3

3.       相对蒸汽密度(g/cm3,空气=1):未确定

4.       熔点(ºC未确定

5.       沸点(ºC,常压):153

6.       沸点(ºC,5.2kPa):未确定

7.       折射率:1.438

8.       闪点(ºC):153-156

9.       比旋光度(º):未确定

10.    自燃点或引燃温度(ºC):未确定

11.    蒸气压(kPa,25ºC):未确定

12.    饱和蒸气压(kPa,60ºC):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:溶于水

1-氯-3-氟-2-丙醇 安全信息

包装等级:
III
危险类别码:
R10;R20/21/22
安全说明:
S23-S36/37
危险标志:
Xi: Irritant;

1-氯-3-氟-2-丙醇 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UA9000000
CHEMICAL NAME :
2-Propanol, 1-chloro-3-fluoro-
CAS REGISTRY NUMBER :
453-11-2
BEILSTEIN REFERENCE NO. :
1732051
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C3-H6-Cl-F-O
MOLECULAR WEIGHT :
112.54
WISWESSER LINE NOTATION :
G1YQ1F

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
320 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00320
毒理学数据:

急性毒性:小鼠经静脉:320 mg/kg,除致死剂量外无详细说明;

生态数据:

该物质对环境可能有危害,对水体应给予特别注意。

1-氯-3-氟-2-丙醇 MSDS

  Material Safety Data Sheet

Section 1. Identification of the substance
    Product Name:      1-Chloro-3-fluoroisopropanol    
    Synonyms:

Section 2. Hazards identification
    Harmful by inhalation, in contact with skin, and if swallowed.
    H331:        Toxic if inhaled    
    H302:        Harmful if swallowed    
    H312:        Harmful in contact with skin    
    H226:        Flammable liquid and vapour    
    Keep away from heat/sparks/open flames/hot surfaces. No smoking
    P210:
    P261:        Avoid breathing dust/fume/gas/mist/vapours/spray    
    P280:        Wear protective gloves/protective clothing/eye protection/face protection    
    P303+P361+P353: IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse skin with
    water/shower
    P405:        Store locked up    

Section 3. Composition/information on ingredients.
    Ingredient name:        1-Chloro-3-fluoroisopropanol    
    CAS number:        453-11-2    

Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing    
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate    
    flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.    
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.    

Section 5. Fire fighting measures
    In the event of a fire involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.

Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator    
    Hand precaution:        Wear suitable gloves/gauntlets    
    Skin protection:        Wear suitable protective clothing    
    Eye protection:        Wear suitable eye protection    
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.

Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly qualified    
    in the handling and use of potentially hazardous chemicals, who should take into account the fire,
    health and chemical hazard data given on this sheet.
    Store in closed vessels, refrigerated.
    Storage:

Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section 9. Physical and chemical properties
    Appearance:        Not specified    
    Boiling point:        No data    
    Melting point:        No data    
    Flash point:        No data    
    Density:        No data    
    Molecular formula: C3H6ClFO
    Molecular weight: 112.5

Section 10. Stability and reactivity
    Conditions to avoid: Heat, flames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, hydrogen chloride, hydrogen fluoride.

Section 11. Toxicological information
    No data.

Section 12. Ecological information
    No data.

Section 13. Disposal consideration
    Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
    disposal authority, in accordance with national and regional regulations.

Section 14. Transportation information
    UN Number:        UN1992        Class: 3        Packing group: III    
    Proper shipping name: FLAMMABLE LIQUIDS, TOXIC, N.O.S. (1-Chloro-3-fluoroisopropanol)

Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

1-氯-3-氟-2-丙醇 分子结构与计算化学数据

分子结构数据

1   摩尔折射率:22.45

2   摩尔体积m3/mol92.7

3   等张比容(90.2K):213.5

4   表面张力dyne/cm28.0

5   极化率10-24cm38.90

计算化学数据

1、   疏水参数计算参考值(XlogP):0.5

2、   氢键供体数量:1

3、   氢键受体数量:2

4、   可旋转化学键数量:2

5、   互变异构体数量:

6、   拓扑分子极性表面积(TPSA):20.2

7、   重原子数量:6

8、   表面电荷:0

9、   复杂度:34

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

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