4,7-Methano-1H-isoindole-1,3(2H)-dione,4,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro-
- 中文别名：氯菌酰亚胺
- 中文释义：氯菌酰亚胺;1,4,5,6,7,7-六氯双环(2.2.1)-5-庚烯-2,3-二碳二亚胺
- 英文别名：Chlorendic imide;
5-Norbornene-2,3-dicarboximide,1,4,5,6,7,7-hexachloro;
1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboximide;
4,5,6,7,8,8-Hexachlor-(3ac,7ac)-3a,4,7,7a-tetrahydro-4r,7c-methano-isoindol-1,3-dion;
4,5,6,7,8,8-hexachloro-(3ac,7ac)-3a,4,7,7a-tetrahydro-4r,7c-methano-isoindole-1,3-dione;
1,4,5,6,7,7-Hexachlorobicyclo(2.2.1)heptene-2,3-dicarboximide
- CAS No.：6889-41-4
- 分子式：C9H3Cl6NO2
- 分子量：369.83
- 精确分子量：366.82900
- PSA：46.17000
- InChI：The Key: VTOLQEMXZUTSMA-BPOCMEKLSA-N
- 分子结构式：
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- RB8630000
- CHEMICAL NAME :
- 5-Norbornene-2,3-dicarboximide, 1,4,5,6,7,7-hexachloro-
- CAS REGISTRY NUMBER :
- 6889-41-4
- LAST UPDATED :
- 199109
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C9-H3-Cl6-N-O2
- MOLECULAR WEIGHT :
- 369.83
- WISWESSER LINE NOTATION :
- T C555 A DVMV IUTJ AG AG BG HG IG JG
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 320 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00789
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）:1.8
2.氢键供体数量:1
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:2
6.拓扑分子极性表面积:46.2
7.重原子数量:18
8.表面电荷:0
9.复杂度:501
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:4
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
