二氯硝基乙烷
- 中文名称：
- 二氯硝基乙烷
- 中文别名：
- 二氯硝基乙烷;
1，1-二氯-1-硝基乙烷
- 英文名称：
- Ethane,1,1-dichloro-1-nitro-
- 英文别名：
- 1,1-DICHLORO-1-NITROETHANE;
Dichloronitroethane;
1,1-Dichloro-1-nitroaethan;
1,1-dichloro-1-nitro-ethane;
1,1-Dicloro-1-nitroetano;
1,1-Dichlor-1-nitroethan;
Caswell No. 313;
Ethane,1,1-dichloro-1-nitro;
Dichloro-1-nitroethane;
Ethide;
1,1-Dichlor-1-nitro-aethan
- CAS No.：
- 594-72-9
- 分 子 式：
-
C2H3Cl2NO2
- 分 子 量：
- 143.96
- 精确分子量：
- 142.95400
- PSA：
- 45.82000
- InChI：
- The Key: OQOGEOLRYAOSKO-UHFFFAOYSA-N3
- 危险品标志：
T
- 风险术语：
- R23/24/25
- 安全术语：
- S26;S45;
- 分子结构式：
-
- SDS：
- 查看
二氯硝基乙烷 物化性质
- 外观与性状：
- 无色液体,带有辛辣气味
- 密度：
- 1.481 g/cm3
- 沸点：
- 123.5ºC at 760 mmHg
- 闪点：
- 31.7ºC
- 折射率：
- 1.467
- 存储条件/存储方法：
- 库房通风低温干燥,与食品、氧化剂、酸类分开储运
二氯硝基乙烷 安全信息
- 包装等级：
- II
- 风险类别：
- 6.1(a)
- 危险类别码：
- 23/24/25
二氯硝基乙烷 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- KI1050000
- CHEMICAL NAME :
- Ethane, 1,1-dichloro-1-nitro-
- CAS REGISTRY NUMBER :
- 594-72-9
- BEILSTEIN REFERENCE NO. :
- 1751184
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 31
- MOLECULAR FORMULA :
- C2-H3-Cl2-N-O2
- MOLECULAR WEIGHT :
- 143.96
- WISWESSER LINE NOTATION :
- WNXGG1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 410 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 :
- Rodent - mouse
- DOSE/DURATION :
- 240 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 :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 150 mg/kg
- TOXIC EFFECTS :
- Vascular - other changes
Lungs, Thorax, or Respiration - acute pulmonary edema
Gastrointestinal - ulceration or bleeding from stomach
- TYPE OF TEST :
- LCLo - Lowest published lethal concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 580 mg/m3/6H
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - lacrimation
Behavioral - muscle weakness
Lungs, Thorax, or Respiration - cough
- TYPE OF TEST :
- LCLo - Lowest published lethal concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 580 mg/m3/6H
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - lacrimation
Behavioral - muscle weakness
Lungs, Thorax, or Respiration - cough
MUTATION DATA
- TYPE OF TEST :
- Mutation in microorganisms
- TEST SYSTEM :
- Bacteria - Salmonella typhimurium
- 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:
19(Suppl 21),2,1992
*** REVIEWS ***
ACGIH TLV-TWA 12 mg/m3 (2 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
*** U.S. STANDARDS AND REGULATIONS ***
MSHA STANDARD:air-CL 10 ppm (60 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: 3,82,1971
OSHA PEL (Gen Indu):CL 10 ppm (60 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):CL 10 ppm (60 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):CL 10 ppm (60 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):CL 10 ppm (60 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 2 ppm (10 mg/m3) JAN 1993
OEL-AUSTRIA:TWA 10 ppm (60 mg/m3) JAN 1993
OEL-BELGIUM:TWA 2 ppm (12 mg/m3) JAN 1993
OEL-DENMARK:STEL 2 ppm (12 mg/m3) JAN 1993
OEL-FINLAND:TWA 10 ppm (60 mg/m3);STEL 20 ppm (120 mg/m3) JAN 1993
OEL-FRANCE:TWA 2 ppm (10 mg/m3) JAN 1993
OEL-GERMANY:TWA 10 ppm (60 mg/m3) JAN 1993
OEL-THE NETHERLANDS:TWA 2 ppm (10 mg/m3) JAN 1993
OEL-THE PHILIPPINES:TWA 10 ppm (60 mg/m3) JAN 1993
OEL-POLAND:TWA 30 mg/m3 JAN 1993
OEL-SWITZERLAND:TWA 2 ppm (12 mg/m3) JAN 1993
OEL-THAILAND:TWA 10 ppm (60 mg/m3) JAN 1993
OEL-TURKEY:TWA 10 ppm (60 mg/m3) 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-DICHLORO-1-NITROETHANE-air:10H TWA 2 ppm
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
二氯硝基乙烷 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）:1.6
2.氢键供体数量:0
3.氢键受体数量:2
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45.8
7.重原子数量:7
8.表面电荷:0
9.复杂度:86.2
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
