四氯丙烷

四氯丙烷 基本信息
CAS号 13116-53-5 分子式 C3H4Cl4
分子量 181.87600 精确质量 　179.90700
PSA 　0.00000 LogP 　2.63790
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目录
基本信息 制备方法与用途 物化性质 安全信息 合成路线 化学图谱 毒性 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
13116-53-5
3D弹球模型：
立即前往扯扯看
分子式：
C3H4Cl4
分子量：
181.87600
中文名称：
四氯丙烷
英文名称：
1,2,2,3-Tetrachloropropane
中文别名：
四氯丙烷;
1,2,2,3-四氯丙烷
英文别名：
1,2,2,3-Tetrachloropropane;
1,2,2,3-TETRACHLOROPROPANE
精确分子量/精确质量：
179.90700
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：
236-043-9
InChI：
The Key: UDPHJTAYHSSOQB-UHFFFAOYSA-N

生产制备方法及用途展开↓

制备方法

其制备方法是在反应釜中加入溶剂四氯化碳和2，3-二氯丙烯，于10～15℃通氯气，通入一定量氯气后，水洗，再用Na2CO3溶液洗，再水洗至中性，脱溶，减压蒸馏，收集84～90℃/40～53 kPa馏分即为成品。ClCH2CCl=CH2+Cl2→ClCH2CCl2CH2Cl

合成制备方法

其制备方法是在反应釜中加入溶剂四氯化碳和2，3-二氯丙烯，于10～15℃通氯气，通入一定量氯气后，水洗，再用Na2CO3溶液洗，再水洗至中性，脱溶，减压蒸馏，收集84～90℃/40～53 kPa馏分即为成品。

ClCH2CCl=CH2+Cl2→ClCH2CCl2CH2Cl

用途简介

四氯丙烷是除草剂燕麦敌的中间体。

用途

四氯丙烷是除草剂燕麦敌的中间体。

物化性质展开↓

密度：
1.50
沸点：
87-88/50mm
闪点：
62.5ºC
折射率：
1.482
蒸汽压：
1.48mmHg at 25°C
其它信息：

1.       液相标准声称热(焓)( kJ·mol-1)：-251.8

2.       密度（g/mL,25℃）：1.50

3.       相对密度（20℃，4℃）：1.4938

4.       熔点（ºC）：102-106

5.       沸点（ºC,常压）：165.5

6.       沸点（ºC，50mmHg）：87-88

7.       相对密度（25℃，4℃）：1.4861

8.       常温折射率（n20）：1.4935

9.       常温折射率（n25）：1.4905

10.    自燃点或引燃温度（ºC）：未确定

11.    蒸气压（20ºC）：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：未确定

安全信息展开↓

海关代码：
2903199000
RTECS号：
TZ7000100

合成路线查看所有的合成路线

  • 26198-63-0

    26198-63-0

  • →

    ~10%

  • 3175-23-3

    1,2,2-trichloropropane

  • +

  • 13116-60-4

    1,1,2,2-Tetrachloropropane

  • +

  • 598-77-6

    1,1,2-三氯丙烷

  • +

  • 96-18-4

    1,2,3-三氯丙烷

  • +

  • 13116-53-5

    四氯丙烷

  • +

  • 18495-30-2

    四氯丙烷

  • 78-88-6

    2,3-二氯丙烯

  • →

    ~1%

  • 96-19-5

    1,2,3-三氯丙烯

  • +

  • 13116-53-5

    四氯丙烷

  • 3175-23-3

    1,2,2-trichloropropane

  • +

  • 7647-18-9

    氯化锑(V)

  • →

  • 13116-53-5

    四氯丙烷

化学图谱

  1. 1,2,2,3-四氯丙烷质谱(MS)

  2. 1,2,2,3-四氯丙烷核磁图(13CNMR)

  3. 1,2,2,3-四氯丙烷核磁图(1HNMR)

  4. 1,2,2,3-四氯丙烷红外图谱(IR1)

  5. 1,2,2,3-四氯丙烷Raman光谱

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TZ7000100
CHEMICAL NAME :
Propane, 1,2,2,3-tetrachloro-
CAS REGISTRY NUMBER :
13116-53-5
BEILSTEIN REFERENCE NO. :
1734971
LAST UPDATED :
199710
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C3-H4-Cl4
MOLECULAR WEIGHT :
181.87

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
6300 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - food intake (animal) Gastrointestinal - other changes
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0570609
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>7940 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - food intake (animal)
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0570609 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
568 ppm/6H/4W-I
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death
REFERENCE :
JTEHD6 Journal of Toxicology and Environmental Health. (Hemisphere Pub., 1025 Vermont Ave., NW, Washington, DC 20005) V.1- 1975/76- Volume(issue)/page/year: 25,317,1988
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
13 ppm/6H/13W-I
TOXIC EFFECTS :
Liver - changes in liver weight Blood - changes in leukocyte (WBC) count
REFERENCE :
JTEHD6 Journal of Toxicology and Environmental Health. (Hemisphere Pub., 1025 Vermont Ave., NW, Washington, DC 20005) V.1- 1975/76- Volume(issue)/page/year: 25,317,1988 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
DOSE :
15 ppm/6H
SEX/DURATION :
male 10 week(s) pre-mating female 10 week(s) pre-mating - 2 week(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - mating performance (e.g. # sperm positive females per # females mated; # copulations per # estrus cycles)
REFERENCE :
JTEHD6 Journal of Toxicology and Environmental Health. (Hemisphere Pub., 1025 Vermont Ave., NW, Washington, DC 20005) V.1- 1975/76- Volume(issue)/page/year: 25,317,1988
毒理学数据：

1.        急性毒性：大鼠口服LD50：6300mg/kg；兔子皮肤LD50：>7940mg/kg；

2.        其他多剂量毒性数据：大鼠吸入TCLo：568 ppm/6H/4W-I；

MSDS 展开↓

  1,2,2,3-Tetrachloropropane      Revision number: 5    
  SAFETY DATA SHEET
Section 1. IDENTIFICATION
  Product name:        1,2,2,3-Tetrachloropropane    
    
  Revision number:        5    
Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS
    Category 4
  Flammable liquids
  HEALTH HAZARDS
    Category 4
  Acute toxicity (Oral)
  Acute toxicity (Dermal)        Category 4    
    Category 4
  Acute toxicity (Inhalation)
  Skin corrosion/irritation        Category 2    
    Category 2A
  Serious eye damage/eye irritation
  ENVIRONMENTAL HAZARDS        Not classified    
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
    Warning
  Signal word
  Hazard statements        Combustible liquid    
    Harmful if swallowed, in contact with skin or if inhaled
    Causes skin irritation
    Causes serious eye irritation
  Precautionary statements:
    Keep away from flames and hot surfaces.
  [Prevention]
    Avoid breathing 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 protective gloves and eye/face protection.
  1,2,2,3-Tetrachloropropane
Section 2. HAZARDS IDENTIFICATION
  [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.
  [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
  Substance/mixture:
  Components:        1,2,2,3-Tetrachloropropane    
  Percent:        >95.0%(GC)    
  CAS Number:        13116-53-5    
  Chemical Formula:        C3H4Cl4    
Section 4. FIRST AID MEASURES
    Remove victim to fresh air and keep at rest in a position comfortable for breathing.
  Inhalation:
    Call a POISON CENTER or doctor/physician if you feel unwell.
    Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
  Skin contact:
    soap and water. 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:        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 personal protective equipment. Keep people away from and upwind of spill/leak.
  Personal precautions,
  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.
  1,2,2,3-Tetrachloropropane
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 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.
    Protective gloves.
  Hand protection:
  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    
    Colorless - Slightly pale yellow
  Colour:
  Odour:        No data available    
  pH: No data available
  Melting point/freezing point:No data available
  Boiling point/range:        164°C    
  Flash point:        No data available    
  Flammability or explosive
  limits:
  Lower:        No data available    
  Upper:        No data available    
  Relative density:        1.50    
  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
  Hazardous decomposition Carbon monoxide, Carbon dioxide, Hydrogen chloride
  products:
  1,2,2,3-Tetrachloropropane
Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        skn-rbt LD50:>7940 mg/kg    
    orl-rat LD50:6300 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    
    No data available
  NTP =
  Reproductive toxicity:        No data available    
  RTECS Number:        TZ7000100    
Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        48h LC50:35.43 mg/L (Oryzias latipes)    
    No data available
  Crustacea:
  Algae:        No data available    
  Persistence / degradability: 1 % (by BOD), 0 % (by TOC), 4 % (by GC)
  Bioaccumulative        12 - 54 (conc. 0.2 mg/L), 22 - 52 (conc. 0.02 mg/L)    
  potential(BCF):
  Mobility in soil
  Log Pow:        No data available    
  Soil adsorption (Koc):        No data available    
  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:        Does not correspond to the classification standard of the United Nations    
  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

海关数据查看详细

中国海关编码：2903199000

概述：
2903199000 其他无环烃的饱和氯化衍生物。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
摘要/Summary：
2903199000 other saturated 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：35.31

2、   摩尔体积（cm3/mol）：123.6

3、   等张比容（90.2K）：300.3

4、   表面张力（dyne/cm）：34.8

5、   极化率（10-24cm3）：13.99

计算化学数据

1.疏水参数计算参考值（XlogP）:2.6

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:2

5.互变异构体数量:无

6.拓扑分子极性表面积0

7.重原子数量:7

8.表面电荷:0

9.复杂度:44.9

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: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

  • 96-18-4

    1,2,3-三氯丙烷

  • 74-99-7

    丙炔

  • 78-88-6

    2,3-二氯丙烯

  • 96-19-5

    1,2,3-三氯丙烯

  • 3175-23-3

    1,2,2-trichloropropane

下游产品

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  • 187737-37-7

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  • 24425-97-6

    1,1,1,2,2,3-hexachloropropane

  • 15600-01-8

    六氯丙烷

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