1,2,3-三氯丙烯

1,2,3-三氯丙烯 基本信息
CAS号 96-19-5 分子式 C3H3Cl3
分子量 145.41500 精确质量  143.93000
PSA  0.00000 LogP  2.54420

等价的CAS号:

96-19-5,13116-58-0,13116-57-9

基本信息 展开↓

CAS号:
96-19-5
3D弹球模型:
立即前往扯扯看
分子式:
C3H3Cl3
分子量:
145.41500
中文名称:
1,2,3-三氯丙烯
英文名称:
1,2,3-TRICHLOROPROPENE
中文别名:
1,2,3-三氯丙烯;
1,2,3-Trichloropropane;
(2S)-2-methylbutanal;
2-Methylbutyraldehyde;
glycerol 1,2-dibromohydrin;
2,3-dibromopropan-1-ol;
(2S)-2,3-dibromopropan-1-ol;
(2R)-2,3-dibromopropan-1-ol;
2,3-Dibromopropanol;
Propane, 1,2,3-tribromo-;
1,2,3-Tribromopropane;
Styrene Epoxide;
Styrene oxide-d8;
styryl oxide;
Styrene oxide;
Menthane, 1,2:8,9-diepoxy-;
NSC 30545;
Unox 269;
Unox epoxide 269;
Unoxat epoxide 269;
p-Menthane, 1,2:8,9-diepoxy-;
1-Methyl-4-(2-methyloxiranyl)-7-oxabicyclo(4.1.0)heptane;
7-Oxabicyclo(4.1.0)heptane, 1-methyl-4-(2-methyl-2-oxiranyl)-;
1-methyl-4-(3-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane;
1-methyl-4-(2-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane;
1-methyl-4-(2-methyloxiran-2-yl)-7-oxa-bicyclo[4.1.0]heptane;
1-methyl-4-(2-methyloxiranyl)-7-oxabicyclo[4.1.0]heptane;
metrogen red former kb soln;
naphthosol fast red kb base;
pharmazoid red kb;
5-Chloro-2-methylaniline;
N-tert-butylbenzothiazole-2-sulphenamide
英文别名:
1,2,3-TRICHLOROPROPENE;
Wln: G1ygu1g;
1,2,3-trichlor-1-propene;
1,2,3-Trichloro-1-propene;
1,2,3-trichloro-propen;
1,2,3-Trichlor-propen-(1);
1,2,3-trichloro-propene;
(Z),(E)-1,2,3-trichloro-1-propene;
Propene,1,2,3-trichloro;
1,2,3-Trichlor-propen;
1,2,3-trichloro-1-propen;
1,2,3-trichloropropylene;
1,2,3-trichroro-1-propene
精确分子量/精确质量:
143.93000
极性分子表面积/PSA:
0.00000
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。
EINECS:
202-487-7
InChI:
InChI=1/C3H3Cl3/c4-1-3(6)2-5/h1H,2H2/b3-1-

生产制备方法及用途展开↓

制备方法


其制备方法是将四氯丙烷及乙醇加到反应釜中,搅拌加热至回流,在1 h内分批加入氢氧化钾,加毕回流2 h,冷却、过滤,滤液水洗2次,水层用二氯乙烷萃取,并与油层合并,脱溶,减压蒸馏,收集74~91℃/13.3 kPa馏分即为成品。

合成制备方法


其制备方法是将四氯丙烷及乙醇加到反应釜中,搅拌加热至回流,在1 h内分批加入氢氧化钾,加毕回流2 h,冷却、过滤,滤液水洗2次,水层用二氯乙烷萃取,并与油层合并,脱溶,减压蒸馏,收集74~91℃/13.3 kPa馏分即为成品。


用途简介


用作除草剂燕麦敌的中间体。 主要用作农药除草剂燕麦畏、燕麦敌1号的中间体,也是制造特种塑料的原料。

用途


用作除草剂燕麦敌的中间体。

 主要用作农药除草剂燕麦畏、燕麦敌1号的中间体,也是制造特种塑料的原料。

 

物化性质展开↓

密度:
1,43 g/cm3
沸点:
145°C
闪点:
82°C
折射率:
1.487
存储条件/存储方法:

自用时以管道运输;外销可用铁桶包装。

稳定性相关:

有毒,对人体的肺、胃有刺激作用,因产品中含少量氯丙酮,故具有催泪性。操作时应穿戴防护用具,附着在衣服上应立即更换。
 

其它信息:

1.      性状:无色液体。

2.      密度(g/mL,20℃):1.414

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):142

6.      沸点(ºC, kPa):未确定

7.      折射率:1.5030

8.      闪点(ºC):未确定

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(mmHg,ºC):未确定

12.   饱和蒸气压(kPa, ºC):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:不溶于水。溶于乙醇、氯仿。

安全信息展开↓

包装等级:
III
风险类别:
6.1(b)
海关代码:
2903299090
危险类别码:
20/21/22-36/37/38
安全说明:
S26-S36/37/39
RTECS号:
UD2450000
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。
:

化学图谱

  1. 1,2,3-三氯丙烯(顺反异构体混合物)质谱(MS)

  2. 1,2,3-三氯丙烯(顺反异构体混合物)红外图谱(IR1)

上一页 1/4 下一页

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UD2450000
CHEMICAL NAME :
Propene, 1,2,3-trichloro-
CAS REGISTRY NUMBER :
96-19-5
LAST UPDATED :
199807
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C3-H3-Cl3
MOLECULAR WEIGHT :
145.41
WISWESSER LINE NOTATION :
G1YGU1G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Open irritation test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
616 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
500 ppm/4H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
640 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
36 ppm/6H/4W-IW-C
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Vascular - regional or general arteriolar or venous dilation Lungs, Thorax, or Respiration - dyspnea

MUTATION DATA

TYPE OF TEST :
DNA inhibition
TEST SYSTEM :
Human HeLa cell
DOSE/DURATION :
1700 umol/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 92,427,1982
毒理学数据:

1、   皮肤/眼睛刺激性

开放的刺激试验:兔子,皮肤接触:10mg/24H,反应的严重程度:严重。

标准的Draize试验:兔子,眼睛接触:50mg,反应的严重程度:中度。

2、急性毒性:大鼠经口LD50:616mg/kg;大鼠经吸入LCLo:500ppm/4H;兔子经皮肤接触LD50:640μL/kg;

3、其他多剂量毒性:大鼠经吸入TCLo:36ppm/6H/4W-C;

4、   致突变性

微生物鼠伤寒沙门氏菌突变:1μmol/plate;

人HeLa细胞的DNA抑制:1700μmol/L;

MSDS 展开↓

  1,2,3-Trichloropropene (cis- and trans- mixture)
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        1,2,3-Trichloropropene (cis- and trans- mixture)    

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS
    Category 4
  Flammable liquids
  HEALTH HAZARDS
    Category 4
  Acute toxicity (Oral)
  Acute toxicity (Dermal)        Category 3    
    Category 2
  Acute toxicity (Inhalation)
  Skin corrosion/irritation        Category 2    
    Category 2A
  Serious eye damage/eye irritation
  Specific target organ toxicity        Respiratory tract irritation    
  - Single exposure [Category 3]
  ENVIRONMENTAL HAZARDS        Not classified    
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
    Danger
  Signal word
  Hazard statements        Combustible liquid    
    Harmful if swallowed
    Toxic in contact with skin
    Fatal if inhaled
    Causes skin irritation
    Causes serious eye irritation
    May cause respiratory irritation
  Precautionary statements:
  [Prevention]        Keep away from flames and hot surfaces.    
    Do not breathe dust/fume/gas/mist/vapours/spray.
    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 respiratory protection.
    Wear protective gloves and eye/face protection.

Section 2. HAZARDS IDENTIFICATION
  [Response]        IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for    
    breathing. Immediately call a POISON CENTER or doctor/physician.
    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.
    Remove/Take off immediately all contaminated clothing.
    Wash contaminated clothing before reuse.
    Call a POISON CENTER or doctor/physician if you feel unwell.
  [Storage]        Store in a well-ventilated place. Keep container tightly closed.    
    Store locked up.
    Dispose of contents/container through a waste management company authorized by
  [Disposal]
    the local government.

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
    Substance
  Substance/mixture:
  Components:        1,2,3-Trichloropropene (cis- and trans- mixture)    
  Percent:        >95.0%(GC)    
  CAS Number:        96-19-5    
  Chemical Formula:        C3H3Cl3    

Section 4. FIRST AID MEASURES
    Remove victim to fresh air and keep at rest in a position comfortable for breathing.
  Inhalation:
    Immediately call a POISON CENTER or doctor/physician.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Gently wash with plenty of    
    soap and water. Call a POISON CENTER or doctor/physician.
  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:        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
  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: 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
    Use extra personal protective equipment (self-contained breathing apparatus). Keep
  Personal precautions,
  protective equipment and people away from and upwind of spill/leak. Ensure adequate ventilation. Entry to non-
  emergency procedures: involved personnel should be controlled around the leakage area by roping off, etc.
  Environmental precautions: Prevent product from entering drains.

Section 6. ACCIDENTAL RELEASE MEASURES
  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.
  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 flames and hot surfaces. 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, ventilation.
  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 locked up.
    Store away from incompatible materials such as oxidizing agents.
    Comply with laws.
  Packaging material:

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: Half or full facepiece respirator, self-contained breathing apparatus(SCBA), supplied
    air respirator, etc. Use respirators approved under appropriate government standards
    and follow local and national regulations.
    Impervious gloves.
  Hand protection:
  Eye protection:        Safety goggles. A face-shield, if the situation requires.    
  Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Liquid    
  Form:        Clear    
    Colorless - Very pale yellow
  Colour:
  Odour:        No data available    
  pH: No data available
  Melting point/freezing point:No data available
  Boiling point/range:        145°C    
  Flash point:        82°C    
  Flammability or explosive
  limits:
  Lower:        No data available    
  Upper:        No data available    
  Relative density:        1.43    
  Solubility(ies):
  [Water]        No data available    
  [Other solvents]        No data available    

Section 10. STABILITY AND REACTIVITY
  Chemical stability:        Stable under proper conditions.    
  Possibility of hazardous No special reactivity has been reported.
  reactions:
    Open flame
  Conditions to avoid:
  Incompatible materials: Oxidizing agents

Section 10. STABILITY AND REACTIVITY
  Hazardous decomposition Carbon monoxide, Carbon dioxide, Hydrogen chloride
  products:

Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        ihl-rat LCLo:500 ppm/4H    
    orl-rat LD50:616 mg/kg
  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    
  RTECS Number:        UD2450000    

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
    No data available
  Fish:
  Crustacea:        No data available    
    No data available
  Algae:
  Persistence / degradability: No data available
  Bioaccumulative        No data available    
  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):

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:        6.1: Toxic substance.    
    2810
  UN-No:
  Proper shipping name:        Toxic liquid, organic, n.o.s.    
    II
  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:2903299090

概述:
HS: 2903299090. 其他无环烃的不饱和氯化衍生物. 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 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
摘要/Summary:
2903299090 other unsaturated chlorinated derivatives of acyclic hydrocarbons。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:30.39

2、  摩尔体积(cm3/mol):105.6

3、  等张比容(90.2K):250.2

4、  表面张力(dyne/cm):31.4

5、  极化率(10-24cm3):12.04

计算化学数据


1、   疏水参数计算参考值(XlogP):2.2

2、   氢键供体数量:0

3、   氢键受体数量:0

4、   可旋转化学键数量:1

5、   互变异构体数量:

6、   拓扑分子极性表面积(TPSA):0

7、   重原子数量:6

8、   表面电荷:0

9、   复杂度:57.1

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:0

13、确定化学键立构中心数量:1

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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