1,3,5-Trinitrobenzene 1,3,5-三硝基苯(加约水湿润,本品干重约为10g)

CAS 99-35-4 MFCD00059179

化学结构图

99-35-4
SMILES: O=[N+]([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

化学属性

Mol. FormulaC6H3N3O6
Mol. Weight213.11
Melting Point121.0 to 124.0 deg-C
Solubility不溶于水，微溶于热乙醇，易溶于乙醚、丙酮、苯。

别名和识别编码

Chemical Name1,3,5-Trinitrobenzene
Synonym 1,3,5-Trinitrobenzol 1,3,5-trinitobenzene s-trinitrobenzene 均三硝基苯 sym-Trinitrobenzene 1,3,5-TRINITROBENZENE,1X1ML, ACN 1000UG/ ML 2,4,6-Trinitrobenzene sym-trinitrobenzene Trinitrobenzene 1，3，5-三硝基苯 1,3,5-TRINITROBENZENE, 1X1ML, CH2CL2, 20 00UG/ML 1,3,5-trinitrobenzene 间三硝基苯 Rcra waste number U234 1,3,5-trinitro-benzen TNB 1，3，5-三铌氧基 symmetrictrinitrobenzene 1,3,5-Trinitrobenzene Benzene,1,3,5-trinitro- 1,3,5-TRINITROBENZENE, 500MG, NEAT,WETTE s-Trinitrobenzene 1,3,5-TRINITROBENZENE 1,3,5-trinitrobenzene solution 1,3,5-trinitro-benzene 对称三硝基苯 benzite rcrawastenumberu234 TNB (nitro compound) benzene, 1,3,5-trinitro- s-Trinitrobenzol 1,3,5-三硝苯 Trinitrobenzeen trinitrobenzene,wettedwithnotlessthan30%water syn-Trinitrobenzene trinitrobenzene,[dry] Trinitrobenzol Benzene, trinitro- (wet) RCRA waste number U234
CAS Number99-35-4
EC Number202-752-7
MDL NumberMFCD00059179
Chemical Name Translation1,3,5-三硝基苯(加约水湿润,本品干重约为10g)
Merck Number9726
Wiswesser Line NotationWNR CNW ENW
Reaxys-RN1252144
Beilstein Registry Number5(4)755
PubChem Substance ID7434
LabNetwork Molecule IDLN01746441
InChIInChI=1S/C6H3N3O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment

相关文献及参考

  • Short: II/25D Title: Structure Data of Free Polyatomic Molecules: Molecules Containing Five or More Carbon Atoms Author: Graner, G.; Hirota, E.; Iijima, T.; Kuchitsu, K.; Ramsay, D.A.; Vogt, J.; Vogt, N. Editor: Kuchitsu, K. Source: Landolt-Börnstein, New Series Volume: II/25D Year: 2003 Keyword: Free Polyatomic Molecules; Carbon Atoms; Molecules ISBN: 3-540-42860-7 ISBN: 978-3-540-42860-2 Internet Resource: DOI:10.1007/b75952 RefComment: VIII, 569 pages. Hardcover RefComment: Written for scientists and researchers in the fields of chemistry and physics Abstract: This fourth subvolume presents data on the geometric parameters (internuclear distances, bond angles, dihedral angles of internal rotation etc) of free polyatomic molecules including free radicals and molecular ions. The survey on structure data consists of four subvolumes, each containing the geometric parameters determined in the gas phase either by an analysis of the rotational constants (and sometimes the vibrational constants) obtained from microwave, infrared, Raman, electronic and photoelectron spectroscopy or by an analysis of electron diffraction intensities. Most of the structures listed in the tables are for molecules in the electronic ground state, but structures for electronically excited states have also been included as far as they are available. In this fourth subvolume, the structure of molecules containing five to sixty carbon atoms is listed.
  • Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic compounds ISBN: 978-3-540-44359-9 (print) ISBN: 978-3-540-45860-9 (online) Internet Resource: doi:10.1007/978-3-540-45860-9 RefComment: VIII, 503 p. With CD-ROM., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemi

安全信息

Packing GroupI
Hazard Codes E,T+,N,T,F
Hazard Class4.1
Storage condition 2-8°C
UN Number 1354
Safety Statements
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
  • S35 This material and its container must be disposed of in a safe way 该物料及其容器必须以安全方式处置；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • S53 Avoid exposure - obtain special instructions before use 避免接触，使用前获得特别指示说明；
  • S27 Take off immediately all contaminated clothing 立即脱掉全部污染的衣服；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
RTECSDC3850000
Risk Statements
  • R26/27/28 Very toxic by inhalation, in contact with skin and if swallowed 吸入，皮肤接触及吞食都有剧毒
  • R45 May cause cancer 可能致癌
  • R1 Explosive when dry 干燥时易爆
  • R2 Risk of explosion by shock, friction, fire or other sources of ignition 遇到震动、摩擦、火焰或者其它引燃物有爆炸危险
  • R11 Highly flammable 非常易燃
  • R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入，皮肤接触及吞食都有毒
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R63 Possible risk of harm to the unborn child 可能危害未出生婴儿
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
  • R50/53
  • R33 Danger of cumulative effects 有累积作用的危险
Warnings 危化品目录(2015) 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 32 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#00192

TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >2 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology,
   Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128)  V.1-
   1990-  Volume(issue)/page/year: 1,169,1992

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 572 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TNICS* Toxicology of New Industrial Chemical Substances.  English
   translation of TPKVAL.  (USSR Academy of Medical Sciences, Meditsina,
   Moscow, USSR)  Volume(issue)/page/year: 13,132,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 275 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - rigidity (including catalepsy)
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology,
   Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128)  V.1-

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: 2,531,1980

Hazard statements
  • H228 Flammable solid 易燃固体
GHS Symbol
Signal word
Precautionary statements
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P302+P352+P333+P313+P362+P364
  • P301+P310+P330
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医，如果你觉得不舒服
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P405 Store locked up. 上锁保管。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P305+P351+P338+P310
Restrict 危险品

其他信息

  • MOL 文件:99-35-4.mol
  • 用途二:用于制造猛性炸药。
  • 刺激数据:眼- 兔子 100 毫克 重度
  • 用途一:可用作炸药，爆炸性能与梯恩梯、苦味酸相似
  • 毒性分级:高毒
  • TCI Shanghai:1,3,5-三硝基苯(加约40%水湿润,本品干重约为10g) 1,3,5-Trinitrobenzene (wetted with ca. 40% Water, containing 10g on a dry weight basis),>;98.0%(GC)(99-35-4)
  • 灭火剂:水
  • 爆炸物危险特性:高热、震动、撞击、摩擦可爆
  • 可燃性危险特性:燃烧产生有毒氮氧化物烟雾
  • 外观性质:白色或黄色斜方结晶。
  • 储运特性:轻装轻放; 库房通风、远离明火、高温、阳光、与氧化剂、碱,食品原料分开存放
  • 图谱信息:1，3，5-三铌氧基(99-35-4)红外图谱(IR1) 1，3，5-三铌氧基(99-35-4)质谱(MS) 1，3，5-三铌氧基(99-35-4)红外图谱(IR2)
  • MSDS 信息:1,3,5-三硝基苯(99-35-4).msds
  • 急性毒性:口服- 大鼠 LD50: 275 毫克/ 公斤; 口服- 小鼠 LD50: 572 毫克/ 公斤
  • 下游产品:3,5-二硝基苯甲醚
  • Sigma Aldrich:99-35-4(sigmaaldrich)
  • 类别:爆炸物品

系列性分类

  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. T - Alphabetic
  5. TP - TZ - T

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