1,1,2,2-四氯乙烷

外观与性状：

无色至淡黄色液体

密度：

1.586 g/mL at 25 °C(lit.)

熔点：

-43 °C

沸点：

147 °C(lit.)

闪点：

142-146°C

水溶解性：

0.3 g/100 mL (25 ºC)

折射率：

n20/D 1.494(lit.)

蒸汽密度：

5.8 (vs air)

存储条件/存储方法：

库房通风低温干燥,与氧化剂、食品添加剂分开存放

稳定性相关：

1.在氯代烃类溶剂中其溶解能力最强，能与甲醇、乙醇、乙醚、石油醚、苯、四氯化碳、二硫化碳、二甲基甲酰胺等多种有机溶剂完全混溶。能溶解油脂、蜡、沥青、煤焦油、樟脑、橡胶、染料、乙基纤维素、硝酸纤维素、聚氯乙烯等多种有机物及硫、磷、卤素、亚硫酸钠等无机物。特别对硫的溶解度，120℃时100g1,1,2,2-四氯乙烷能溶解100g硫。25℃时在水中的溶解度为0.29%；水在1,1,2,2-四氯乙烷中的溶解度为0.13%。干燥纯净的1,1,2,2-四氯乙烷对金属腐蚀性不强，在潮湿空气中分解放出腐蚀性强的氯化氢。

2.无空气、水分和光存在时，1,1,2,2-四氯乙烷是稳定的物质，但与空气接触时，慢慢脱去氯化氢，生成三氯乙烯及微量的光气。在水分存在下逐渐分解放出氯化氢。在空气或氧气存在下，经紫外光照射生成二氯乙酰氯。1,1,2,2-四氯乙烷在沸水或水蒸气存在下，用铁、铝、锌等金属处理，还原成1,2-二氯乙烯。常温下不与氯反应，紫外光照射下氯化生成六氯乙烷。1,1,2,2-四氯乙烷在活性炭等催化剂存在下热裂或与石灰乳反应都生成三氯乙烯。与强碱加热生成极易爆炸的二氯乙炔。

其它信息：

1.性状：无色液体，有氯仿样的气味。^[1]

2.熔点（℃）：-43.8^[2]

3.沸点（℃）：146.4^[3]

4.相对密度（水=1）：1.60^[4]

5.相对蒸气密度（空气=1）：5.79^[5]

6.饱和蒸气压（kPa）：1.33（32℃）^[6]

7.临界温度（℃）：388^[7]

8.临界压力（MPa）：3.99^[8]

9.辛醇/水分配系数：2.39^[9]

10.溶解性：微溶于水，溶于丙酮，混溶于乙醇、乙醚、苯、四氯化碳、氯仿等。^[10]

11.黏度（mPa·s,20ºC）：1.77

12.比热(液)（KJ/(kg·K)）：1.122

13.蒸发热（J/g,b.p.）：229.8

14.生成热（KJ/mol,25ºC,气体）：149.0

15.燃烧热（KJ/kg,18.7ºC,定容）：5788.8

16.电导率（S/m,25ºC）：4.5×10^-9

17.热导率（W/(m·K)）：0.1364

18.体膨胀系数（K^-1,0~30ºC,平均）：0.00103

19.Lennard-Jones参数（A）：19.819

20.Lennard-Jones参数（K）：253.6

21.溶度参数(J·cm^-3)^0.5：20.485      

22.vanderWaals面积（cm²·mol^-1）：8.420×10⁹

23.vanderWaals体积（cm³·mol^-1）：62.520

24.液相标准声称热(焓)(kJ·mol^-1)：-194.4

25.液相标准熵(J·mol^-1·K^-1)：245.6

26.液相标准热熔(J·mol^-1·K^-1)：165.4

27.气相标准声称热(焓)(kJ·mol^-1)：-149.0

28.气相标准熵(J·mol^-1·K^-1)：355.08

29.气相标准生成自由能(kJ·mol^-1)：-79.4

30.气相标准热熔(J·mol^-1·K^-1)：98.99

包装等级：

II

风险类别：

6.1

WGK_Germany：

3
德国有关水污染物质的分类清单

危险类别码：

R26/27;R51/53

安全说明：

S38-S45-S61-S36/37

RTECS号：

KI8575000

安全标志：

S38:在通风不良的场所，佩戴合适的呼吸装置。
S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
S61:避免排放到环境中。参考专门的说明/安全数据表。

危险标志：

T+:Verytoxic;N:Dangerous for the environment;

CHEMICAL IDENTIFICATION

RTECS NUMBER :

KI8575000

CHEMICAL NAME :

Ethane, 1,1,2,2-tetrachloro-

CAS REGISTRY NUMBER :

79-34-5

BEILSTEIN REFERENCE NO. :

0969206

LAST UPDATED :

199712

DATA ITEMS CITED :

70

MOLECULAR FORMULA :

C2-H2-Cl4

MOLECULAR WEIGHT :

167.84

WISWESSER LINE NOTATION :

GYGYGG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human

DOSE/DURATION :

30 mg/kg

TOXIC EFFECTS :

Behavioral - general anesthetic

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Human

DOSE/DURATION :

1000 mg/m3/30M

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Behavioral - hallucinations, distorted perceptions

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

250 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 :

1000 ppm/4H

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

4500 mg/m3/2H

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 :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

821 mg/kg

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 :

Subcutaneous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

1108 mg/kg

TOXIC EFFECTS :

Behavioral - sleep Behavioral - ataxia

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

300 mg/kg

TOXIC EFFECTS :

Liver - hepatitis (hepatocellular necrosis), zonal Behavioral - sleep Liver - fatty liver degeneration

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

50 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 :

Mammal - cat

DOSE/DURATION :

19 gm/m3/45M

TOXIC EFFECTS :

Sense Organs and Special Senses (Eye) - lacrimation Behavioral - general anesthetic Gastrointestinal - changes in structure or function of salivary glands

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

500 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

500 mg/kg

TOXIC EFFECTS :

Liver - fatty liver degeneration

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

9480 mg/kg/6W-I

TOXIC EFFECTS :

Related to Chronic Data - death

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

50 mg/m3/4H/6W-I

TOXIC EFFECTS :

Brain and Coverings - recordings from specific areas of CNS Liver - changes in liver weight Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

16 gm/kg/40D-I

TOXIC EFFECTS :

Behavioral - sleep Liver - fatty liver degeneration Related to Chronic Data - death

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

42 gm/kg/78W-I

TOXIC EFFECTS :

Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

55 gm/kg/78W-I

TOXIC EFFECTS :

Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors

TYPE OF TEST :

TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

110 gm/kg/78W-I

TOXIC EFFECTS :

Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors

TYPE OF TEST :

Mutation test systems - not otherwise specified

MUTATION DATA

TYPE OF TEST :

Sister chromatid exchange

TEST SYSTEM :

Rodent - hamster Ovary

REFERENCE :

EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 10(Suppl 10),1,1987 *** REVIEWS *** ACGIH TLV-Not classifiable as a human carcinogen DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 ACGIH TLV-TWA 6.9 mg/m3 (1 ppm) (skin) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 IARC Cancer Review:Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 20,477,1979 IARC Cancer Review:Human Inadequate Evidence IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,354,1987 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,354,1987 TOXICOLOGY REVIEW AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 40(3),A46,1979 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 5 ppm (35 mg/m3) (skin) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: 3,249,1971 OSHA PEL (Gen Indu):8H TWA 5 ppm (35 mg/m3) (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):8H TWA 5 ppm (35 mg/m3) (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):8H TWA 5 ppm (35 mg/m3) (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Fed Cont):8H TWA 5 ppm (35 mg/m3) (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 41,50-204.50,1994 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 1 ppm (7 mg/m3);Skin JAN 1993 OEL-AUSTRIA:TWA 1 ppm (7 mg/m3);Skin JAN 1993 OEL-BELGIUM:TWA 1 ppm (6.9 mg/m3);Skin JAN 1993 OEL-DENMARK:TWA 1 ppm (7 mg/m3);Skin JAN 1993 OEL-FINLAND:TWA 1 ppm (7 mg/m3);STEL 3 ppm (21 mg/m3);Skin JAN 1993 OEL-FRANCE:TWA 1 ppm (7 mg/m3);STEL 5 ppm (35 mg/m3) JAN 1993 OEL-GERMANY:TWA 1 ppm (7 mg/m3);Skin;Carcinogen JAN 1993 OEL-JAPAN:TWA 1 ppm (6.9 mg/m3);Skin JAN 1993 OEL-THE NETHERLANDS:TWA 1 ppm (7 mg/m3);Skin JAN 1993 OEL-THE PHILIPPINES:TWA 5 ppm (35 mg/m3);Skin JAN 1993 OEL-POLAND:TWA 5 mg/m3 JAN 1993 OEL-RUSSIA:TWA 1 ppm JAN 1993 OEL-SWITZERLAND:TWA 1 ppm (7 mg/m3);Skin JAN 1993 OEL-TURKEY:TWA 5 ppm (35 mg/m3) JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO 1,1,2,2-TETRACHLOROETHANE-air:10H CA TWA 1 ppm REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 71460 No. of Facilities: 244 (estimated) No. of Industries: 8 No. of Occupations: 15 No. of Employees: 7044 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 71460 No. of Facilities: 501 (estimated) No. of Industries: 2 No. of Occupations: 10 No. of Employees: 4145 (estimated) No. of Female Employees: 926 (estimated)

毒理学数据：

1.急性毒性^[11]

LD50：200mg/kg（大鼠经口）

LC50：4500mg/m³（小鼠吸入，2h）

2.刺激性 暂无资料

3.亚急性与慢性毒性^[12]  引起肝脏肿大和压痛，可发生肝脏脂肪变性、坏死和肝硬化、肾脏和心肌也能受害。

4.致突变性^[13] 微生物致突变：鼠伤寒沙门菌10μg/皿。性染色体缺失和不分离：构巢曲霉200ppm。DNA抑制：人Hela细胞6mmol/L。姐妹染色单体交换：仓鼠卵巢56mg/L。

5.致癌性^[14] IARC致癌性评论：G3，对人及动物致癌性证据不足。

生态数据：

1.生态毒性^[15]

LC50：9.23mg/L（48h）（大型蚤，静态）；21.3mg/L（96h）（蓝鳃太阳鱼，静态）；20.3mg/L（96h）（黑头呆鱼，动态）；31mg/L（48h）（青鳉）；9.02mg/L（96h）（糖虾，静态）；136~146mg/L（96h）（绿藻）；6.23~6.44mg/L（96h）（肋骨条藻）

2.生物降解性^[16]

好氧生物降解（h）：672~4320

厌氧生物降解（h）：168~672

3.非生物降解性^[17]

空气中光氧化半衰期（h）：213~2131

一级水解半衰期（h）：1056

分子结构数据

1、摩尔折射率：30.62

2、摩尔体积（cm³/mol）：107.8

3、等张比容（90.2K）：260.2

4、表面张力（dyne/cm）：33.9

5、极化率（10^-24cm³）：12.14

计算化学数据

1.疏水参数计算参考值（XlogP）:无

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:无

6.拓扑分子极性表面积0

7.重原子数量:6

8.表面电荷:0

9.复杂度:26.5

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

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  2-四氯乙烷红外图谱(IR1)
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