5-甲基-5-硝基-1,3-二恶烷
- 中文名称:
- 5-甲基-5-硝基-1,3-二恶烷
- 中文别名:
- 5-甲基-5-硝基-1,3-二恶烷
- 英文名称:
- 1,3-Dioxane,5-methyl-5-nitro-
- 英文别名:
- 5-methyl-5-nitro-1,3-dioxane;
5-Nitro-5-methyl-1,3-dioxane;
5-methyl-5-nitro-[1,3]dioxane;
m-DIOXANE,5-METHYL-5-NITRO;
1,5-methyl-5-nitro;
5-Methyl-5-nitro-<1.3>dioxan;
1,3-Dioxane,5-methyl-5-nitro
- CAS No.:
- 1194-36-1
- 分 子 式:
-
C5H9NO4
- 分 子 量:
- 0
- 精确分子量:
- 147.05300
- PSA:
- 64.28000
- InChI:
- The Key: AENNTASTLOXXMY-UHFFFAOYSA-N3
- 分子结构式:
-
- SDS:
- 查看
5-甲基-5-硝基-1,3-二恶烷 物化性质
- 密度:
- 1.24g/cm3
- 沸点:
- 228.1ºC at 760 mmHg
- 闪点:
- 114.5ºC
- 折射率:
- 1.464
- 蒸汽压:
- 0.0748mmHg at 25°C
5-甲基-5-硝基-1,3-二恶烷 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- JH2275000
- CHEMICAL NAME :
- m-Dioxane, 5-methyl-5-nitro-
- CAS REGISTRY NUMBER :
- 1194-36-1
- BEILSTEIN REFERENCE NO. :
- 0123791
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C5-H9-N-O4
- MOLECULAR WEIGHT :
- 147.15
- WISWESSER LINE NOTATION :
- T6O COTJ ENW E1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 150 mg/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: AD691-490
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 178 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#00098
5-甲基-5-硝基-1,3-二恶烷 分子结构与计算化学数据
分子结构数据
1、 摩尔折射率:32.67
2、 摩尔体积(cm3/mol):118.3
3、 等张比容(90.2K):296.4
4、 表面张力(dyne/cm):39.3
5、 极化率(10-24cm3):12.95
计算化学数据
1.疏水参数计算参考值(XlogP):-0.2
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:0
5.互变异构体数量:无
6.拓扑分子极性表面积64.3
7.重原子数量:10
8.表面电荷:0
9.复杂度:135
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