1,3,5-Trinitrobenzene
SmallMolecule
T3DB_ID
T3D0103
描述
1,3,5-Trinitrobenzene (1,3,5-TNB) is a synthetic substance that is used in explosives. (L199)
类别
"Industrial/Workplace Toxin", "Synthetic Toxin"
同义词
"1,3, 5-Trinitrobenzene", "1,3,5-Trinitrobenzol", "2,4,6-trinitrobenzene", "Benzite", "S-trinitrobenzene", "SYM-trinitrobenzene", "Symmetric trinitrobenzene", "SYN-trinitrobenzene", "TNB", "Trinitrobenzene"
CAS登记号
99-35-4
化学式
C6H3N3O6
平均分子量
213.1045
单同位素质量
213.002184843
IUPAC 名称
1,3,5-trinitrobenzene
传统名称
trinitrobenzene
简化分子线性输入规范
[O-][N+](=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O
InChI 标识符
InChI=1S/C6H3N3O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H
InChIKey=UATJOMSPNYCXIX-UHFFFAOYSA-N
化合物类型
Organic compounds
大分类
Benzenoids
类型
Benzene and substituted derivatives
子类
Nitrobenzenes
直接大类
Nitrobenzenes
另外分类
"Hydrocarbon derivatives", "Nitroaromatic compounds", "Organic oxides", "Organic oxoazanium compounds", "Organonitrogen compounds", "Organopnictogen compounds", "Propargyl-type 1,3-dipolar organic compounds"
取代基
"Allyl-type 1,3-dipolar organic compound", "Aromatic homomonocyclic compound", "C-nitro compound", "Hydrocarbon derivative", "Nitroaromatic compound", "Nitrobenzene", "Organic 1,3-dipolar compound", "Organic nitro compound", "Organic nitrogen compound", "Organic oxide", "Organic oxoazanium", "Organic oxygen compound", "Organonitrogen compound", "Organopnictogen compound", "Propargyl-type 1,3-dipolar organic compound"
分子框架
Aromatic homomonocyclic compounds
外部描述符
"a small molecule", "trinitrobenzene"
地位
Detected and Not Quantified
起源
Exogenous
蜂窝位置
"Cytoplasm", "Extracellular"
生物流体位置
组织位置
途径
状态
Solid
外貌
Yellow solid.
熔点/沸点/溶解度
121.5°C//0.278 mg/mL at 15 °C [YALKOWSKY,SH & DANNENFELSER,RM (1992)]
日志P
暴露途径
Oral (L199); inhalation (L199) ; dermal (L199)
毒性机制
In the red blood cell, 1,3,5-TNB induces formation of methemoglobin, leading to cyanosis. Reduction of the nitrogroup(s) of 1,3,5-TNB produces reactive nitroaromatic radical anions which redox cycle to produce other reactive species such as superoxide anion. Redox cycling of these intermediates probably causes the methemoglobinemia. 1,3,5-TNB may also exert neurotoxic effects by damaging the blood-brain barrier.(L199, A136)
代谢
1,3,5-Trinitrobenzene is absorbed via oral, inhalation, and dermal routes and is believed to penetrate the red blood cell membrane. The metabolism of 1,3,5-TNB includes both oxidative and reductive biotransformations, followed by conjugation. The main route of excretion of 1,3,5-TNB metabolites is the urine. (L199)
毒性值
LD50: 250 mg/kg (Oral, Rat) (T13) LD50: 32 mg/kg (Intravenous, Mouse) (T13)
致死剂量
致癌性
No indication of carcinogenicity to humans (not listed by IARC).
用途/来源
1,3,5-Trinitrobenzene is used in explosives. Waste discharges from army ammunitions plants or other chemical manufacturers are the primary sources for release into the air, water, and soil. (L199)
最低风险等级
健康影响
Chronic exposure to 1,3,5-trinitrobenzene can cause a reduction (or loss) in the number of red blood cells (anemia). 1,3,5-TNB may also have neurotoxic effects. (L199, A136)
症状
Exposure to high concentrations of 1,3,5-trinitrobenzene can reduce the ability of blood to carry oxygen and can cause skin bluishing. Other symptoms nclude headache, nausea, and dizziness. (L199)
治疗
Treatment is mainly symptomatic and may include gastric lavage and/or the administration of activated charcoal. Benzodiazepine may be administered if seizures occur. If methemoglobinemia is evident, 1 to 2 mg/kg of 1% methylene blue should be administered via IV. (T36)
药库 ID
HMDB_ID
PubChem 化合物 ID
7434
维基百科链接
http://en.wikipedia.org/wiki/1,3,5-Trinitrobenzene
创建于
2009-03-06 18:58:05 UTC
更新于
2014-12-24 20:21:07 UTC
目标
毒素T3DB ID毒素名称目标名称
免责声明:以上所展示的信息由企业自行提供,内容的真实性、准确性和合法性由发布企业负责,医药网对此不承担任何责任。
相关链接:医药研究数据| 医药资料| SDA药品评审中心| 中医网| 中药处方系统| 爱视立眼贴
专业提供药品信息、药品招商、药品代理、保健品招商、医药原料采购供应的中国药品信息网站平台
版权所有 © 2003-2028 盗冒必究  客服热线:0575-83552251 / 13754370441  QQ客服:药品信息客服
浙ICP备16010490号-2 增值电信业务经营许可证:浙B2-20220931 互联网药品信息服务资格证书编号:(浙)-经营性2023-0215 浙公网安备:330683240604819103159
 医药代理商群1:药药网药品采购交流医药代理商群2:药药网药品采购交流2医药代理商群3:药药网药品采购交流3