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氯丙炔碘
- 基本信息
- 物化性质
- 安全信息
- 毒理性
- 结构与计算化学
氯丙炔碘 基本信息
- 中文名称：
- 氯丙炔碘
- 中文别名：
- 氯丙炔碘;
卤普罗近;
2,4,5-三氯苯基-GAMMA-碘代丙炔醚;
2,4,5-三氯苯基-γ-碘代丙炔醚
- 英文名称：
- Benzene,1,2,4-trichloro-5-[(3-iodo-2-propyn-1-yl)oxy]-
- 英文别名：
- 1,2,4-trichloro-5-(3-iodoprop-2-ynoxy)benzene;
2,4,5-Trichlor-phenyl-3-jod-2-propinyl-aether;
3-iodo-2-propynyl 2,4,5-trichlorophenyl ether;
Mycilan;
Haloproginum;
Halotex;
Mycanden;
haloprogin;
aloprogen;
Haloprogina;
Polik;
Haloprogine
- CAS No.：
- 777-11-7
- 分 子 式：
- C9H4Cl3IO
- 分 子 量：
- 361.39093
- 精确分子量：
- 359.83700
- PSA：
- 9.23000
- EINECS：
- 212-286-6
- InChI：
- The Key: CTETYYAZBPJBHE-UHFFFAOYSA-N
- 风险术语：
- 22-36/37/38
- 分子结构式：
-
- SDS：
- 查看
氯丙炔碘 物化性质
- 密度：
- 1.959g/cm3
- 沸点：
- 391.9ºC at 760 mmHg
- 闪点：
- 190.8ºC
- 折射率：
- 1.657
氯丙炔碘 安全信息
- 危险类别码：
- 22-36/37/38
- 安全说明：
- 26-36
- 危险标志：
- Xn
氯丙炔碘 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- KO1225000
- CHEMICAL NAME :
- Ether, 3-iodo-2-propynyl 2,4,5-trichlorophenyl
- CAS REGISTRY NUMBER :
- 777-11-7
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 14
- MOLECULAR FORMULA :
- C9-H4-Cl3-I-O
- MOLECULAR WEIGHT :
- 361.38
- WISWESSER LINE NOTATION :
- I1UU2OR BG DG EG
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
22,375,1972
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
22,375,1972
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Mammal - pig
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
22,375,1972
** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >5600 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
22,375,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 152 mg/kg
- TOXIC EFFECTS :
- Gastrointestinal - other changes
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
22,375,1972
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >3 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AACHAX Antimicrobial Agents and Chemotherapy (1961-70). (Ann Arbor, MI)
1961-70. For publisher information, see AMACCQ. Volume(issue)/page/year:
-,569,1963
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 89 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New
York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 13,195,1990
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >3 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AACHAX Antimicrobial Agents and Chemotherapy (1961-70). (Ann Arbor, MI)
1961-70. For publisher information, see AMACCQ. Volume(issue)/page/year:
-,569,1963
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- >3 gm/kg
- TOXIC EFFECTS :
- Gastrointestinal - nausea or vomiting
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
22,375,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 250 mg/kg
- TOXIC EFFECTS :
- Gastrointestinal - nausea or vomiting
Gastrointestinal - other changes
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
22,375,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 1625 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
22,375,1972
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 137 mg/kg
- TOXIC EFFECTS :
- Gastrointestinal - other changes
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
22,375,1972
*** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***
NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA :
NOES - National Occupational Exposure Survey (1983)
NOES Hazard Code - X6077
No. of Facilities: 7 (estimated)
No. of Industries: 1
No. of Occupations: 2
No. of Employees: 628 (estimated)
No. of Female Employees: 314 (estimated)
氯丙炔碘 分子结构与计算化学数据
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:2
5.互变异构体数量:无
6.拓扑分子极性表面积:9.2
7.重原子数量:14
8.表面电荷:0
9.复杂度:247
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
