2,4,6-Trinitrotoluene
SmallMolecule
T3DB_ID
T3D0082
描述
Trinitrotoluene (TNT), or more specifically, 2,4,6-trinitrotoluene, is a chemical compound with the formula C6H2(NO2)3CH3. This yellow-coloured solid is a reagent (reactant) in chemistry but is best known as a useful explosive material with convenient handling properties. The explosive yield of TNT is considered the standard measure of strength of bombs and other explosives. In chemistry, TNT is used to generate charge transfer salts. (L130)
类别
"Industrial/Workplace Toxin", "Food Toxin", "Synthetic Toxin"
同义词
"1-Methyl-2,4,6-trinitrobenzene", "2,4,6-TNT", "2,4,6-Trinitrotoluol", "s-Trinitrotoluol", "sym-Trinitrotoluol", "TNT", "Trinitrotoluene", "Trinitrotoluol", "Tritol", "Trotyl"
CAS登记号
118-96-7
化学式
C7H5N3O6
平均分子量
227.1311
单同位素质量
227.017834907
IUPAC 名称
2-methyl-1,3,5-trinitrobenzene
传统名称
α-tnt
简化分子线性输入规范
CC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O
InChI 标识符
InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3
InChIKey=SPSSULHKWOKEEL-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", "Nitrotoluenes", "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", "Nitrotoluene", "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", "Toluene"
分子框架
Aromatic homomonocyclic compounds
外部描述符
"an aromatic compound", "trinitrotoluene"
地位
Detected and Not Quantified
起源
Exogenous
蜂窝位置
"Membrane"
生物流体位置
组织位置
途径
状态
Solid
外貌
Pale yellow, odorless solid. Loose "needles" before melt-casting. A solid block after being poured into a casing. (L130)
熔点/沸点/溶解度
80.1°C/240 °C (L131)/0.115 mg/mL at 23 °C [PHELAN,JM & BARNETT,JL (2001)]
日志P
暴露途径
Oral (L131) ; inhalation (L131) ; dermal (L131)
毒性机制
2,4,6-Trinitrotoluene is a competitive inhibitor with respect to NADPH and a noncompetitive inhibitor with respect to L-arginine. It binds to the P450 reductase domain of the eNOS and suppresses l-citrulline formation by shunting electrons away from the normal catalytic pathway. The reduction of TNT then produces reactive oxygen species (ROS), such as superoxide (O2.−), and hydrogen peroxide (H2O2). The overproduction of superoxide is associated with oxidative stress-mediated induction of cataracts. The inhibition of the eNOS activity occurs in a concentration-dependent manner. (A110, A111)
代谢
2,4,6-Trinitrotoluene rapidly and completely enters the body through inhalation or ingestion, but more slowly through the skin. Once 2,4,6-trinitrotoluene is in the blood, it travels throughout the body to all of the organs. When it reaches the liver, it breaks down and changes into several different substances, such as 4-aminodinitrotoluene, 2-aminodinitrotoluene and 2,4-diamino-6-nitrotoluene. Most of these substances travel in the blood until they reach the kidneys. Almost all of the 2,4,6-trinitrotoluene that enters the body breaks down and leaves the body in the urine within 24 hours. (L132)
毒性值
致死剂量
致癌性
3, not classifiable as to its carcinogenicity to humans. (L135)
用途/来源
2,4,6-Trinitrotoluene is an explosive used in military shells, bombs, and grenades, in industrial uses, and in underwater blasting. Exposure may results from drinking contaminated water that has migrated from chemical waste disposal sites, breathing contaminated air, eating contaminated foods such as fruits and vegetables, and/or eating contaminated soil. (L132)
最低风险等级
Intermediate Oral: 0.0005 mg/kg/day (L134)
健康影响
Exposition to high concentrations of 2,4,6-trinitrotoluene in air can lead to several harmful health effects, including anemia and abnormal liver function. Similar blood and liver effects, as well as spleen enlargement and other harmful effects on the immune system, have been observed in animals that ate or breathed 2,4,6-trinitrotoluene. Other effects in humans include skin irritation after prolonged skin contact, and cataract development after long-term (365 days or longer) exposure. It is not known whether 2,4,6-trinitrotoluene can cause birth defects in humans. However, male animals treated with high doses of 2,4,6-trinitrotoluene have developed serious reproductive system effects. Moreover, the EPA has determined that 2,4,6-trinitrotoluene is a possible human carcinogen. (L132)
症状
Exposure to 2,4,6-trinitrotoluene causes headache, blue lips or finger nails, blue skin, cough, sore throat, laboured breathing, vomiting, abdominal cramps, unconsciousness. Dermal exposure may cause pain and redness at the exposed surface and yellowish staining of the skin. (L131)
治疗
In some cases, gastric lavage, activated charcoal, and emetics have been suggested as useful in reducing absorption of the general class of nitro compounds to which 2,4,6-trinitrotoluene belongs. (L132)
药库 ID
DB01676
HMDB_ID
PubChem 化合物 ID
8376
维基百科链接
http://en.wikipedia.org/wiki/Trinitrotoluene
创建于
2009-03-06 18:58:02 UTC
更新于
2014-12-24 20:21:04 UTC
目标
毒素T3DB ID毒素名称目标名称
T3D0082 2,4,6-Trinitrotoluene Nitric oxide synthase, endothelial
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