制备方法

用作杀虫剂、薰剂。

合成制备方法

用途简介

用途

用作杀虫剂、薰剂。^[22]

包装等级：

II

风险类别：

8

海关代码：

29269095

WGK_Germany：

3
德国有关水污染物质的分类清单

危险类别码：

R23/24/25;R51/53

安全说明：

S45-S61

RTECS号：

AM2450000

安全标志：

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:Toxic

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

毒理学数据：

1.急性毒性^[8]

LD50：250mg/kg（大鼠经口）；900mg/kg（兔经皮）

2.刺激性^[9]

家兔经皮：5mg（24h），重度刺激。

家兔经眼：50μg（24h），重度刺激。

3.亚急性与慢性毒性^[10]  长期染毒的动物体重减轻，血红蛋白和红细胞减少。尸检见支气管炎，支气管肺炎，心肌、肝和肾变化。

4.致突变性^[11]   微生物致突变：鼠伤寒沙门菌3333μg/皿。DNA损伤：人淋巴细胞1μmol/L。姐妹染色单体交换：仓鼠卵巢15μmol/L。

5.致畸性^[12]  大鼠孕后6~18d经口给予最低中毒剂量（TDLo）97500μg/kg，致心血管系统和泌尿生殖系统发育畸形。

6.致癌性^[13]  IARC致癌性评论：G3，对人及动物致癌性证据不足。

7.其他^[14]   大鼠经口最低中毒剂量（TDLo）：97500μg/kg（孕6~18d），致心血管（循环）系统发育正常，泌尿生殖系统发育异常。

生态数据：

1.生态毒性  暂无资料

2.生物降解性  暂无资料

3.非生物降解性  暂无资料

4.其他有害作用^[15]   该物质对环境有危害，应特别注意对水体的污染。

分子结构数据

1、摩尔折射率：25.74

2、摩尔体积（cm³/mol）：89.1

3、等张比容（90.2K）：230.4

4、表面张力（dyne/cm）：44.6

5、极化率（10^-24cm³）：10.20

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:1

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23.8

7.重原子数量:6

8.表面电荷:0

9.复杂度:82.7

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

• 
  三氯乙腈红外图谱(IR1)
• 
  三氯乙腈质谱(MS)
• 
  三氯乙腈核磁图(¹³CNMR)