1,1,1-三氯乙烷

外观与性状：

无色液体带有一种温和像醚的气味

密度：

1.336 g/mL at 20 °C(lit.)

熔点：

−35 °C(lit.)

沸点：

74-76 °C(lit.)

闪点：

11 °C

水溶解性：

1.4 g/L (20 ºc)

折射率：

n20/D 1.4366(lit.)

蒸汽密度：

4.6 (vs air)

存储条件/存储方法：

储存注意事项^[29]  储存于阴凉、通风的库房。远离火种、热源。保持容器密封。应与氧化剂、碱类、食用化学品分开存放，切忌混储。配备相应品种和数量的消防器材。储区应备有泄漏应急处理设备和合适的收容材料。

稳定性相关：

1.在钴、镍、铂、钯盐及其氧化物存在下，反应可在150℃左右进行。在硫酸或金属氯化物存在下与水一起于加压下加热至75~160℃，生成乙酰氯和乙酸。在光照下氯化得到1,1,2,2-四氯乙烷。不含稳定剂的1,1,1-三氯乙烷于高温空气中氧化生成光气。1,1,1-三氯乙烷对石灰乳非常稳定，加热回流也几乎不发生分解。

2.稳定性^[24]   稳定

3.禁配物^[25]   强氧化剂、铝及其合金、强碱

4.避免接触的条件^[26]   光照

5.聚合危害^[27]   不聚合

6.分解产物^[28]   氯化氢

其它信息：

1.性状：无色液体^[1]

2.熔点（℃）：-32.5^[2]

3.沸点（℃）：74.1^[3]

4.相对密度（水=1）：1.3376（20℃）^[4]

5.相对蒸气密度（空气=1）：4.6^[5]

6.饱和蒸气压（kPa）：13.33（20℃）^[6]

7.临界温度（℃）：311.5^[7]

8.临界压力（MPa）：4.48^[8]

9.辛醇/水分配系数：2.49^[9]

10.引燃温度（℃）：500~537^[10]

11.爆炸上限（%）：12.5^[11]

12.爆炸下限（%）：7.5^[12]

13.溶解性：不溶于水，溶于乙醇、乙醚、丙酮、苯、甲醇、氯仿等。^[13]

14.黏度（mPa·s,15ºC）：0.903

15.蒸发热（KJ/mol,b.p.）：32.198

16.熔化热（KJ/mol）：4.500

17.生成热（KJ/mol,25ºC,液体）：138.1

18.比热容（KJ/(kg·K),-15~26ºC,平均）：1.0684

19.电导率（S/m）：7.3×10^-9

20.相对密度（25℃，4℃）：1.3299

21.常温折射率（n²⁵）：1.4313

22.偏心因子：0.216

23.溶度参数(J·cm^-3)^0.5：17.301      

24.van der Waals面积（cm²·mol^-1）：7.580×10⁹

25.van der Waals体积（cm³·mol^-1）：53.720

26.气相标准声称热(焓)( kJ·mol^-1) ：-142.3

27.气相标准熵(J·mol^-1·K^-1) ：320.14

28.气相标准生成自由能( kJ·mol^-1)：-76.1

29.气相标准热熔(J·mol^-1·K^-1)：92.34

30.液相标准声称热(焓)( kJ·mol^-1)：-177.40

31.液相标准熵(J·mol^-1·K^-1) ：226.7

32.液相标准生成自由能( kJ·mol^-1)：-83.47

33.液相标准热熔(J·mol^-1·K^-1)：144.4

包装等级：

III

风险类别：

6.1(b)

海关代码：

2903191090

WGK_Germany：

3
德国有关水污染物质的分类清单

危险类别码：

R19;R20;R40;R59;R66

安全说明：

S24/25-S59-S61-S9-S46-S16-S45-S36/37

RTECS号：

KJ2975000

安全标志：

S59:回收时参考生产商和供应商提供的信息。
S61:避免排放到环境中。参考专门的说明/安全数据表。
S24/25:防止皮肤和眼睛接触。

危险标志：

Xn:Harmful

CHEMICAL IDENTIFICATION

RTECS NUMBER :

KJ2975000

CHEMICAL NAME :

Ethane, 1,1,1-trichloro-

CAS REGISTRY NUMBER :

71-55-6

BEILSTEIN REFERENCE NO. :

1731614

LAST UPDATED :

199712

DATA ITEMS CITED :

89

MOLECULAR FORMULA :

C2-H3-Cl3

MOLECULAR WEIGHT :

133.40

WISWESSER LINE NOTATION :

GXGG1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

Standard Draize test

ROUTE OF EXPOSURE :

Administration into the eye

SPECIES OBSERVED :

Human - man

TYPE OF TEST :

Standard Draize test

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

TYPE OF TEST :

Standard Draize 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 :

Standard Draize test

ROUTE OF EXPOSURE :

Administration into the eye

SPECIES OBSERVED :

Rodent - rabbit

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Human - man

DOSE/DURATION :

350 ppm

TOXIC EFFECTS :

Behavioral - hallucinations, distorted perceptions Behavioral - changes in motor activity (specific assay) Behavioral - changes in psychophysiological tests

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human

DOSE/DURATION :

670 mg/kg

TOXIC EFFECTS :

Gastrointestinal - hypermotility, diarrhea Gastrointestinal - nausea or vomiting Gastrointestinal - other changes

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Human

DOSE/DURATION :

920 ppm/70M

TOXIC EFFECTS :

Behavioral - changes in motor activity (specific assay) Sense Organs and Special Senses (Eye) - conjunctive irritation

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Human - man

DOSE/DURATION :

200 ppm/4H

TOXIC EFFECTS :

Behavioral - changes in motor activity (specific assay) Behavioral - irritability

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

9600 mg/kg

TOXIC EFFECTS :

Cardiac - pulse rate Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :

LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

18000 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 :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

3593 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 :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

6 gm/kg

TOXIC EFFECTS :

Cardiac - pulse rate Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :

LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

3911 ppm/2H

TOXIC EFFECTS :

Behavioral - excitement

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

2568 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 :

16 gm/kg

TOXIC EFFECTS :

Behavioral - sleep Behavioral - ataxia

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

750 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 :

Intraperitoneal

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

3100 mg/kg

TOXIC EFFECTS :

Liver - liver function tests impaired

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

95 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LC - Lethal concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Primate - monkey

DOSE/DURATION :

>5000 ppm/7H

TOXIC EFFECTS :

Behavioral - tremor Behavioral - ataxia

TYPE OF TEST :

LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Mammal - cat

DOSE/DURATION :

24400 mg/m3

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 :

Oral

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

5660 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 :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

15800 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 :

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 :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

9470 mg/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 :

10000 ppm/1H/13W-I

TOXIC EFFECTS :

Liver - other changes

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

1000 ppm/1H/13W-I

TOXIC EFFECTS :

Liver - other changes

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

3000 ppm/7H/29D-I

TOXIC EFFECTS :

Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

650 ppm/7H/58D-I

TOXIC EFFECTS :

Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

43 mg/kg

SEX/DURATION :

female 1-22 day(s) after conception lactating female 21 day(s) post-birth

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

DOSE :

2100 ppm/6H

SEX/DURATION :

female 1-20 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

MUTATION DATA

TYPE OF TEST :

Cytogenetic analysis

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-STEL 2460 mg/m3 (450 ppm) 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 1910 mg/m3 (350 ppm) 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 Inadequate 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: 20,515,1979 IARC Cancer Review:Human No Adequate Data 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: 20,515,1979 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: 7,56,1987 TOXICOLOGY REVIEW FAZMAE Fortschritte der Arzneimittelforschung. Progress in Drug Research. (Birkhauser Boston, Inc., c/o Springer-Verlag New York, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1959- Volume(issue)/page/year: 18,365,1974 TOXICOLOGY REVIEW EATR** U.S. Army, Edgewood Arsenal Technical Report. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: EB-TR-75047 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 *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 MSHA STANDARD-air:TWA 350 ppm (1900 mg/m3) 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: 3,161,1971 OSHA PEL (Gen Indu):8H TWA 350 ppm (1900 mg/m3) 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 350 ppm (1900 mg/m3) 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 350 ppm (1900 mg/m3) 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 350 ppm (1900 mg/m3) 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 125 ppm (680 mg/m3) JAN 1993 OEL-BELGIUM:TWA 350 ppm (1910 mg/m3);STEL 450 ppm (2460 mg/m3) JAN 1993 OEL-DENMARK:TWA 100 ppm (540 mg/m3) JAN 1993 OEL-FINLAND:TWA 100 ppm (540 mg/m3);STEL 250 ppm (1400 mg/m3) JAN 1993 OEL-FRANCE:TWA 300 ppm (1650 mg/m3);STEL 450 ppm (2500 mg/m3) JAN 1993 OEL-GERMANY:TWA 200 ppm (1080 mg/m3) JAN 1993 OEL-HUNGARY:TWA 100 mg/m3;STEL 300 mg/m3;Skin JAN 1993 OEL-JAPAN:TWA 200 ppm (1100 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 200 ppm (1080 mg/m3);STEL 500 ppm JAN 1993 OEL-THE PHILIPPINES:TWA 350 ppm (1900 mg/m3) JAN 1993 OEL-RUSSIA:TWA 200 ppm;STEL 20 mg/m3 JAN 1993 OEL-SWEDEN:TWA 50 ppm (300 mg/m3);STEL 90 ppm (500 mg/m3) JAN 1993 OEL-SWITZERLAND:TWA 200 ppm (1080 mg/m3);STEL 1000 ppm JAN 1993 OEL-TURKEY:TWA 350 ppm (1900 mg/m3) JAN 1993 OEL-UNITED KINGDOM:TWA 350 ppm (1900 mg/m3);STEL 450 ppm 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 1,1,1-TRICHLOROETHANE-air:CL 350 ppm/15M 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 - 46970 No. of Facilities: 109850 (estimated) No. of Industries: 412 No. of Occupations: 205 No. of Employees: 1511801 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 46970 No. of Facilities: 120527 (estimated) No. of Industries: 417 No. of Occupations: 243 No. of Employees: 2528300 (estimated) No. of Female Employees: 762399 (estimated)

毒理学数据：

1.急性毒性^[14]

LD50：9600mg/kg（大鼠经口）

LC50：17000ppm（大鼠吸入，4h）

2.刺激性^[15]

家兔经皮：20mg（24h），中度刺激。

家兔经眼：100mg，轻度刺激。

3.亚急性与慢性毒性^[16]  豚鼠吸入5.46g/m³，每天3h，3个月，肝重增加，有脂肪变性，肺炎。

4.致突变性^[17]   微生物致突变：鼠伤寒沙门菌10μg/皿。DNA修复：大肠杆菌500mg/L。基因转化和有丝分裂重组：酿酒酵母5350mg/L。细胞遗传学分析：仓鼠卵巢160mg/L。

5.致畸性^[18]  大鼠孕后1~22d经口给予最低中毒剂量（TDLo）43mg/kg，致心血管系统发育畸形。

6.致癌性^[19]   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^[20]

LC50：42.3~105mg/L（96h）（黑头呆鱼）；73mg/L（48h）（青鳉）

2.生物降解性^[21]

好氧生物降解（h）：3360~6552

厌氧生物降解（h）：13440~26208

生物降解-二次沉降处理（h）：220~250

3.非生物降解性^[22]

空气中光氧化半衰期（h）：5393~53929

一级水解半衰期（h）：0.73

4.其他有害作用^[23]  该物质对环境有危害，应特别注意对地下水的污染。

分子结构数据

1、摩尔折射率：25.82

2、摩尔体积（cm³/mol）：95.7

3、等张比容（90.2K）：222.1

4、表面张力（dyne/cm）：28.9

5、介电常数：无可用的

6、极化率（10^-24cm³）：10.23

7、单一同位素质量：131.930033 Da

8、标称质量：132 Da

9、平均质量：133.4042 Da

计算化学数据

1.疏水参数计算参考值（XlogP）:2.4

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:0

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:5

8.表面电荷:0

9.复杂度:26.4

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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  1-三氯乙烷红外图谱(IR1)
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