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三氯乙腈

三氯乙腈用途

三氯乙腈是饮用水中氯与背景有机物反应产生的一系列污染物之一。三氯乙腈是芳基硼酸同侧羟基化为酚类化合物的有效活化剂[1][2]。

三氯乙腈名称

[ CAS 号 ]:
545-06-2

[ 中文名 ]:
三氯乙腈

[ 英文名 ]:
Trichloroacetonitrile

[中文别名 ]:

氰化三氯甲烷

[英文别名 ]:

EINECS 208-885-7
Acetonitrile, 2,2,2-trichloro-
UNII:6397DL8869
Trichloroacetonitrile
2,2,2-trichloroacetonitrile
MFCD00001842

三氯乙腈生物活性

[ 描述 ]:

三氯乙腈是饮用水中氯与背景有机物反应产生的一系列污染物之一。三氯乙腈是芳基硼酸同侧羟基化为酚类化合物的有效活化剂[1][2]。

[ 相关类别 ]:

研究领域 >> 其他

信号通路 >> 其他 >> 其他

[参考文献]

[1]. Fang Y, et al. Trichloroacetonitrile as an efficient activating agent for the ipso-hydroxylation of arylboronic acids to phenolic compounds. Org Biomol Chem. 2019;17(32):7558-7563.

[2]. Smith MK, et al. Teratogenic effects of trichloroacetonitrile in the Long-Evans rat. Teratology. 1988;38(2):113-120.

三氯乙腈物理化学性质

[ 密度 ]:
1.6±0.1 g/cm3

[ 沸点 ]:
85.7±0.0 °C at 760 mmHg

[ 熔点 ]:
-42 °C

[ 分子式 ]:
C₂Cl₃N

[ 分子量 ]:
144.387

[ 闪点 ]:
10.5±20.2 °C

[ 精确质量 ]:
142.909637

[ PSA ]:
23.79000

[ LogP ]:
2.54

[ 外观性状 ]:
无色至淡黄色液体

[ 蒸汽压 ]:
68.6±0.1 mmHg at 25°C

[ 折射率 ]:
1.489

[ 储存条件 ]:
库房通风低温干燥,与酸类、氧化剂、食品添加剂分开存放

[ 稳定性 ]:
Stable, but water sensitive. Incompatible with acids, water, steam. May hydrolyze in alkali or acid conditions. Flammable.

[ 水溶解性 ]:
<0.1 g/100 mL at 21.5°C | <0.1 g/100 mL at 21.5 ºC

三氯乙腈MSDS

三氯乙腈毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AM2450000

CHEMICAL NAME :: Acetonitrile, trichloro-

CAS REGISTRY NUMBER :: 545-06-2

BEILSTEIN REFERENCE NO. :: 0605572

LAST UPDATED :: 199710

DATA ITEMS CITED :: 23

MOLECULAR FORMULA :: C2-Cl3-N

MOLECULAR WEIGHT :: 144.38

WISWESSER LINE NOTATION :: NCXGGG

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 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 :: 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 :: 250 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 :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 56 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 - rabbit

DOSE/DURATION :: 311 ppm/5H

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - lacrimation Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 900 uL/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 - guinea pig

DOSE/DURATION :: 311 ppm/5H

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - lacrimation Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 97500 ug/kg

SEX/DURATION :: female 6-18 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system Reproductive - Specific Developmental Abnormalities - urogenital system

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 97500 ug/kg

SEX/DURATION :: female 6-18 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetal death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 455 mg/kg

SEX/DURATION :: female 6-18 day(s) after conception

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

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 825 mg/kg

SEX/DURATION :: female 7-21 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Newborn - weaning or lactation index (e.g., # alive at weaning per # alive at day 4) Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)

TYPE OF TEST :: Micronucleus test

MUTATION DATA

TYPE OF TEST :: Sister chromatid exchange

TEST SYSTEM :: Rodent - hamster Ovary

DOSE/DURATION :: 15 umol/L

REFERENCE :: FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 5,1065,1985 *** REVIEWS *** 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: 52,269,1991 IARC Cancer Review:Human No Available 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: 52,269,1991 IARC Cancer Review:Group 3 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: 52,269,1991

三氯乙腈安全信息

[ 符号 ]:

GHS06, GHS09

[ 信号词 ]:
Danger

[ 危害声明 ]:
H301 + H311 + H331-H315-H319-H411

[ 警示性声明 ]:
Missing Phrase - N15.00950417-P261-P280-P302 + P352 + P312-P304 + P340 + P312-P403 + P233

[ 个人防护装备 ]:
Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ 危害码 (欧洲) ]:
T:Toxic

[ 风险声明 (欧洲) ]:
R23/24/25;R51/53

[ 安全声明 (欧洲) ]:
S45-S61

[ 危险品运输编码 ]:
UN 3276 6.1/PG 3

[ WGK德国 ]:
3

[ RTECS号 ]:
AM2450000

[ 包装等级 ]:
II

[ 危险类别 ]:
8

[ 海关编码 ]:
29269095

三氯乙腈合成路线

三氯乙腈上下游产品

三氯乙腈上游产品

三氯乙腈下游产品

三氯乙腈海关

[ 海关编码 ]: 2926909090

[ 中文概述 ]:
2926909090 其他腈基化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无最惠国关税:6.5% 普通关税:30.0%

[ 申报要素 ]: 品名, 成分含量, 用途

[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

三氯乙腈文献

Identification of two urinary metabolites of rats treated with acrylonitrile; influence of several inhibitors on the mutagenicity of those urines.

Toxicol. Lett. 7(4-5) , 321-7, (1981)

Urines collected from rats injected with acrylonitrile (ACN) were mutagenic towards Salmonella typhimurium TA1530; this activity was reduced when the animals were pretreated by pyrazole (inhibitor of ...

Trichloroacetonitrile.

IARC Monogr. Eval. Carcinog. Risks Hum. 71 Pt 3 , 1533-7, (1999)

Teratogenic effects of trichloroacetonitrile in the Long-Evans rat.

Teratology 38(2) , 113-20, (1988)

Trichloroacetonitrile (TCAN) is among a number of contaminants found in drinking water produced by reactions of chlorine with background organic material. Long-Evans rats were intubated with TCAN (0, ...

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