2,4,5-三硝基甲苯
- 中文名称:
- 2,4,5-三硝基甲苯
- 中文别名:
- 2,4,5-三硝基甲苯
- 英文名称:
- Benzene,1-methyl-2,4,5-trinitro-
- 英文别名:
- 1-methyl-2,4,5-trinitrobenzene;
2,4,5-Trinitro-toluol;
Toluene,2,4,5-trinitro;
Benzene,1-methyl-2,4,5-trinitro;
2,3-DIHYDRO-5-BENZOFURANACETIC ACID-D2;
1-methyl-2,4,5-trinitro-benzene;
EINECS 210-214-8;
2,4,5-TRINITROTOLUENE
- CAS No.:
- 610-25-3
- 分 子 式:
-
C7H5N3O6
- 分 子 量:
- 227.15
- 精确分子量:
- 227.01800
- PSA:
- 137.46000
- InChI:
- The Key: FZJGZCSVWGKDAK-UHFFFAOYSA-N3
- 安全术语:
- Poison by subcutaneous route. Mutation data reported. Reaction with sodium carbonate forms flammable and explosive products. When heated to decomposition it emits toxic fumes of NOx. See also NITRO COMPOUNDS of AROMATIC HYDROCARBONS.
- 分子结构式:
-

- SDS:
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2,4,5-三硝基甲苯 物化性质
- 密度:
- 1.608g/cm3
- 沸点:
- 413.1ºC at 760 mmHg
- 闪点:
- 218.8ºC
- 折射率:
- 1.637
2,4,5-三硝基甲苯 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XU0174000
- CHEMICAL NAME :
- Toluene, 2,4,5-trinitro-
- CAS REGISTRY NUMBER :
- 610-25-3
- BEILSTEIN REFERENCE NO. :
- 1992649
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C7-H5-N3-O6
- MOLECULAR WEIGHT :
- 227.15
- WISWESSER LINE NOTATION :
- WNR B1 DNW ENW
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD20 - Lethal Dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 250 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
MUTATION DATA
- TYPE OF TEST :
- Mutation in microorganisms
- TEST SYSTEM :
- Bacteria - Salmonella typhimurium
- DOSE/DURATION :
- 10 ug/plate
- REFERENCE :
- ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For
publisher information, see EMMUEG. Volume(issue)/page/year: 4,163,1982
2,4,5-三硝基甲苯 海关数据
中国海关编码:2904204000
- 概述:
- 2904204000 三硝基甲苯(TNT)。监管条件:AB(入境货物通关单,出境货物通关单)。增值税率:17.0%。退税率:9.0%。最低关税:5.5%。普通关税:40.0%
- 申报要素:
- 品名, 成分含量, 用途
- 监管条件:
- A.入境货物通关单B.出境货物通关单
- 检验检疫:
- M.进口商品检验N.出口商品检验
- 摘要/Summary:
- 2904204000 1-methyl-2,4,5-trinitrobenzene。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%
2,4,5-三硝基甲苯 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:0
3.氢键受体数量:6
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:138
7.重原子数量:16
8.表面电荷:0
9.复杂度:316
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