1,2,3-三氯丙烷

外观与性状：

无色至稻黄色的液体带有一种刺鼻的,像氯仿一样的气味

密度：

1.387 g/mL at 25 °C(lit.)

熔点：

-14 °C

沸点：

156 °C(lit.)

闪点：

180 °F

水溶解性：

2 g/L (25 ºC)

折射率：

n20/D 1.484(lit.)

存储条件/存储方法：

库房通风低温干燥,与食品添加剂分开存放

稳定性相关：

1.对金属略有腐蚀性，有水存在时，分解出腐蚀性强的氯化氢，光照可加速这一分解。对久贮或回收的1,2,3-三氯丙烷在使用前要检查其酸度。热解或燃烧时产生有毒气体，故应防止与赤热的物体接触。

2.与固体氢氧化钾一起加热时，脱去氯化氢，反应的主要产物为1,3-二氯丙烯和少量的2,3-二氯丙烯。与水或碳酸氢钠水溶液在铜存在下加压加热生成甘油。

3.稳定性^[23]  稳定

4.禁配物^[24]  强氧化剂、强碱

5.避免接触的条件^[25]  潮湿空气、光照、受热

6.聚合危害^[26]   不聚合

7.分解产物^[27]  氯化氢

其它信息：

1.性状：无色至淡黄色液体，有氯仿味。^[1]

2.熔点（℃）：-14.7^[2]

3.沸点（℃）：156.8^[3]

4.相对密度（水=1）：1.39（20℃）^[4]

5.相对蒸气密度（空气=1）：5.0^[5]

6.饱和蒸气压（kPa）：1.33（46℃）^[6]

7.燃烧热（kJ/mol）：-1733.0^[7]

8.临界压力（MPa）：3.87^[8]

9.辛醇/水分配系数：2.27^[9]

10.闪点（℃）：71.1（CC）；82.2（OC）^[10]

11.引燃温度（℃）：304^[11]

12.爆炸上限（%）：12.6^[12]

13.爆炸下限（%）：3.2^[13]

14.溶解性：微溶于水，溶于乙醇、乙醚、油类、脂类、石蜡。^[14]

15.黏度（mPa·s,20ºC）：0.2505

16.闪点（ºC,闭口）：73.3

17.闪点（ºC,开口）：78.9

18.蒸气压（kPa,9.0ºC）：0.13

19.蒸气压（kPa,46.0ºC）：1.33

20.蒸发热（KJ/mol,b.p.）：40.56

21.燃烧热（KJ/mol,液体）：1735.9

22.比热容（KJ/(kg·K),20ºC）：1.235

23.体膨胀系数（K^-1,20ºC）：0.00096

24.相对密度（25℃，4℃）：1.3832

25.常温折射率（n²⁵）：1.4812

26.溶度参数(J·cm^-3)^0.5：20.148

27.van der Waals面积（cm²·mol^-1）：8.690×10⁹

28.van der Waals体积（cm³·mol^-1）：62.720

29.气相标准声称热(焓)( kJ·mol^-1) ：-182.9

30.液相标准声称热(焓)( kJ·mol^-1)：-230.6

31.液相标准热熔(J·mol^-1·K^-1)：172.4

包装等级：

III

风险类别：

6.1

海关代码：

29031980

WGK_Germany：

3
德国有关水污染物质的分类清单

危险类别码：

R20/21/22;R45;R60

安全说明：

S53-S45-S36/37-S37-S36

RTECS号：

TZ9275000

安全标志：

S36:穿戴合适的防护服装。
S37:使用合适的防护手套。
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）。
S53:避免暴露——使用前先阅读专门的说明。
:

危险标志：

T:Toxic;

CHEMICAL IDENTIFICATION

RTECS NUMBER :

TZ9275000

CHEMICAL NAME :

Propane, 1,2,3-trichloro-

CAS REGISTRY NUMBER :

96-18-4

BEILSTEIN REFERENCE NO. :

1732068

LAST UPDATED :

199712

DATA ITEMS CITED :

56

MOLECULAR FORMULA :

C3-H5-Cl3

MOLECULAR WEIGHT :

147.43

WISWESSER LINE NOTATION :

G1YG1G

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 :

505 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Behavioral - ataxia Blood - other changes

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 :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

369 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Behavioral - ataxia Blood - other changes

TYPE OF TEST :

LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

3400 mg/m3/2H

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

200 mg/kg

TOXIC EFFECTS :

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

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

380 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Behavioral - ataxia Blood - other changes

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

1770 uL/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 :

340 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Behavioral - ataxia Blood - other changes

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

2720 mg/kg/17W-I

TOXIC EFFECTS :

Kidney, Ureter, Bladder - changes in bladder weight Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other esterases

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1179 mg/kg/10D-I

TOXIC EFFECTS :

Cardiac - other changes Liver - changes in liver weight Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

297 ppm/6H/4W-I

TOXIC EFFECTS :

Liver - changes in liver weight Endocrine - changes in spleen weight Related to Chronic Data - changes in ovarian weight

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

2 mg/m3/24H/94D-C

TOXIC EFFECTS :

Brain and Coverings - recordings from specific areas of CNS Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

5355 mg/kg/17W-I

TOXIC EFFECTS :

Lungs, Thorax, or Respiration - other changes Gastrointestinal - other changes

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

5200 mg/kg/2Y-I

TOXIC EFFECTS :

Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors Skin and Appendages - tumors

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

3120 mg/kg/2Y-I

TOXIC EFFECTS :

Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors Liver - tumors

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

400 mg/kg

SEX/DURATION :

male 5 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth)

TYPE OF TEST :

DNA damage

TYPE OF TEST :

Cytogenetic analysis

MUTATION DATA

TYPE OF TEST :

Sister chromatid exchange

TEST SYSTEM :

Rodent - hamster Lung

REFERENCE :

ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 9,401,1987 *** REVIEWS *** ACGIH TLV-Animal 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 60 mg/m3 (10 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 Sufficient 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: 63,223,1995 IARC Cancer Review:Human 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: 63,223,1995 IARC Cancer Review:Group 2A 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: 63,223,1995 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 50 ppm (300 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: 3,266,1971 OSHA PEL (Gen Indu):8H TWA 50 ppm (300 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 50 ppm (300 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 50 ppm (300 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 50 ppm (300 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 10 ppm (60 mg/m3);Skin JAN 1993 OEL-BELGIUM:TWA 10 ppm (60 mg/m3);Skin JAN 1993 OEL-DENMARK:TWA 50 ppm (300 mg/m3) JAN 1993 OEL-FINLAND:TWA 50 ppm (300 mg/m3);STEL 75 ppm (450 mg/m3) JAN 1993 OEL-GERMANY:TWA 50 ppm (300 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 50 ppm (300 mg/m3) JAN 1993 OEL-THE PHILIPPINES:TWA 50 ppm (300 mg/m3) JAN 1993 OEL-RUSSIA:STEL 2 mg/m3 JAN 1993 OEL-SWITZERLAND:TWA 50 ppm (300 mg/m3);STEL 250 ppm (1500 mg/m3) JAN 1993 OEL-UNITED KINGDOM:TWA 50 ppm (300 mg/m3);STEL 75 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 1,2,3-TRICHLOROPROPANE-air:10H CA TWA 10 ppm (Sk) 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 - 73960 No. of Facilities: 108 (estimated) No. of Industries: 4 No. of Occupations: 5 No. of Employees: 490 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 73960 No. of Facilities: 3 (estimated) No. of Industries: 1 No. of Occupations: 7 No. of Employees: 492 (estimated) No. of Female Employees: 10 (estimated)

毒理学数据：

1.急性毒性^[15] 

LD50：108μl（150mg）/kg（大鼠经口）；369mg/kg（小鼠经口）；372μl（517mg）/kg（兔经皮）

LC50：3400mg/m³（小鼠吸入，2h）

2.刺激性^[16]

家兔经皮：500μl（24h），轻度刺激。

家兔经眼：100μl，中度刺激。

3.致突变性^[17]  微生物致突变：鼠伤寒沙门菌500ng/皿。DNA损伤：人淋巴细胞2mmol/L。细胞遗传学分析：大鼠吸入800μg/L。姐妹染色单体交换：仓鼠肺300μmol/L。

4.致癌性^[18]  IARC致癌性评论：G2A，可能人类致癌物。

生态数据：

1.生态毒性^[19]

LC50：42mg/L（7d）（虹鳉）；109mg/L（48h）（青鳉）

EC50：45mg/L（24h）（水蚤）

2.生物降解性^[20]

好氧生物降解（h）：4320~8640

厌氧生物降解（h）：17280~34560

3.非生物降解性^[21]

空气中光氧化半衰期（h）：61~613

一级水解半衰期（h）：44

4.其他有害作用^[22]  该物质对环境有危害，在地下水中有蓄积作用。

分子结构数据

1、摩尔折射率：30.45

2、摩尔体积（cm³/mol）：112.5

3、等张比容（90.2K）：264.2

4、表面张力（dyne/cm）：30.3

5、极化率：12.07

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: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:6

8.表面电荷:0

9.复杂度:25.2

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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  3-三氯丙烷质谱(MS)
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