2,2,2-氮川三乙腈
- 中文名称:
- 2,2,2-氮川三乙腈
- 中文别名:
- 2,2,2-氮川三乙腈;
2,2',2''-氮川三乙腈
- 英文名称:
- Acetonitrile, 2,2',2''-nitrilotris-
- 英文别名:
- Acetonitrile, 2,2',2''-nitrilotris-;
Acetonitrile, nitrilotri- (6CI,7CI,8CI);
2,2',2''-Nitrilotris[acetonitrile];
NSC 93814;
Nitrilotriacetonitrile;
Nitrilotrisacetonitrile;
α-Aminotriacetonitrile
- CAS No.:
- 7327-60-8
- 分 子 式:
-
C6H6N4
- 分 子 量:
- 134.14
- 精确分子量:
- 134.05925
- PSA:
- 74.61000
- EINECS:
- 230-804-9
- InChI:
- The Key: LJAIDEYQVIJERM-UHFFFAOYSA-N3
- 危险品标志:
-
- 风险术语:
-
- 安全术语:
-
- 分子结构式:
-
- SDS:
- 查看
2,2,2-氮川三乙腈 物化性质
- 密度:
- 1.166 g/cm3
- 沸点:
- 421ºC at 760 mmHg
- 闪点:
- 211.7ºC
- 折射率:
- 1.491
2,2,2-氮川三乙腈 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- AM1243500
- CHEMICAL NAME :
- Acetonitrile, 2,2',2''-nitrilotris-
- CAS REGISTRY NUMBER :
- 7327-60-8
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C6-H6-N4
- MOLECULAR WEIGHT :
- 134.16
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161)
Formerly U.S. Clearinghouse for Scientific & Technical Information.
Volume(issue)/page/year: OTS0570625
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161)
Formerly U.S. Clearinghouse for Scientific & Technical Information.
Volume(issue)/page/year: OTS0570625
** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 440 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Lungs, Thorax, or Respiration - other changes
Blood - hemorrhage
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161)
Formerly U.S. Clearinghouse for Scientific & Technical Information.
Volume(issue)/page/year: OTS0570625
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >2 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161)
Formerly U.S. Clearinghouse for Scientific & Technical Information.
Volume(issue)/page/year: OTS0570625
2,2,2-氮川三乙腈 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):-0.4
2.氢键供体数量:0
3.氢键受体数量:4
4.可旋转化学键数量:3
5.互变异构体数量:无
6.拓扑分子极性表面积:74.6
7.重原子数量:10
8.表面电荷:0
9.复杂度:185
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