2,3-Dinitrotoluene 2,3-二硝基甲苯

CAS 602-01-7 MFCD00007178

化学结构图

602-01-7
SMILES: Cc1cccc([N+](=O)[O-])c1[N+](=O)[O-]

化学属性

Mol. FormulaC7H6N2O4
Mol. Weight182.13
Melting Point59-61 °C
Appearance 黄色针状结晶。熔点63℃。不溶于水。
Boiling Point315.51 °C at 760 mmHg

别名和识别编码

Chemical Name2,3-Dinitrotoluene
Synonym 1-Methyl-2,3-dinitrobenzene {LY} 1-Methyl-2,3-dinitrobenzene {} {LY} 1-Methyl-2,3-dinitrobenzene {} {} {LY} 1-Methyl-2,3-dinitrobenzene {} {} {} {LY} 1-Methyl-2,3-dinitrobenzene {} {} {} {} {LY} 1-Methyl-2,3-dinitrobenzene {} {} {} {} {} {LY} 1-Methyl-2,3-dinitrobenzene {} {} {} {} {} {} {LY} 1-Methyl-2,3-dinitrobenzene {} {} {} {} {} {} {} {LY} 1-Methyl-2,3-dinitrobenzene {} {} {} {} {} {} {} {} {LY} 1-Methyl-2,3-dinitrobenzene {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-2,3-dinitrobenzene {} {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-2,3-dinitrobenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-2,3-dinitrobenzene {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-2,3-dinitrobenzene {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-2,3-dinitrobenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-2,3-dinitrobenzene {} {} {} {} {} {} {}
MDL NumberMFCD00007178
CAS Number602-01-7
PubChem Substance ID11761
Beilstein Registry Number2212428
EC Number210-013-5
Chemical Name Translation2,3-二硝基甲苯
Wiswesser Line NotationWNR B1 FNW
LabNetwork Molecule IDLN03240344
InChIInChI=1S/C7H6N2O4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3
Canonical SMILES[O-][N+](C1=C(C)C=CC=C1[N+]([O-])=O)=O
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分类

  • {SA} Building Blocks, Chemical Synthesis, Nitro Compounds, Nitrogen Compounds, Organic Building Blocks
  • {SNA} Alpha Sort, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Aromatics, Chemical Class, Chromatography, D, DID - DIN, Environmental Standards, Nitro Compounds, Plasticizer, Standards for Personal Care and Cosmetic Products, Volatiles/ Semivolatiles, neats, prohibited substances (EU-REGULATION No 1223/2009)
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {SNA} Building Blocks, Chemical Synthesis, Nitro Compounds, Nitrogen Compounds,

相关文献及参考

  • Short: IV/8A Title: Enthalpies of Fusion and Transition of Organic Compounds Author: Zhang, Z.-Y.; Frenkel, M.; March, K.N.; Wilhoit, R.C. Editor: Marsh, K.N. Source: Landolt-Börnstein, New Series Volume: IV/8A Year: 1995 Keyword: organic compounds; enthaly of fusion; melting point; phase transition ISBN: 3-540-58854-X ISBN: 978-3-540-58854-2 Internet Resource: DOI:10.1007/b55145 RefComment: VIII, 588 pages.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

WGK Germany3
GHS Symbol
Precautionary statements
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P301+P310
  • 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。
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
Hazard statements
  • H331 Toxic if inhaled 吸入中毒
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H301 Toxic if swallowed 吞食有毒
  • H350 May cause cancer 可能致癌
  • H341 Suspected of causing genetic defects 怀疑导致遗传性缺陷
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
  • H361 Suspected of damaging fertility or the unborn child 怀疑对生育能力或未出生婴儿造成伤害
  • H373 May causes damage to organs through prolonged or repeated exposure 长期或频繁接触可能会损伤器官
RTECSXT1400000
Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Signal word Danger
Safety Statements
  • 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）；
  • S53 Avoid exposure - obtain special instructions before use 避免接触，使用前获得特别指示说明；
  • 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；
Hazard Codes T,N
Risk Statements
  • 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
  • R48/22
  • R45 May cause cancer 可能致癌
  • R50/53
  • R62 Possible risk of impaired fertility 有削弱生殖能力的危险
  • R68 Possible risk of irreversible effects 可能有不可挽回的作用的危险
Packing GroupII
Hazard Class6.1(a)
UN Number UN 3454 6.1/PG 2 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 911 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD-A080-146

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1072 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: PB214-270

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 1 mg/plate
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD-A080-146

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 50 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

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Rodent - rat Liver
DOSE/DURATION           : 300 umol/L
REFERENCE :
   SinJF# Personal Communication from J.F. Sina, Merck Institute for
   Therapeutic Research, West Point, PA 19486, Oct. 26, 1982
   Volume(issue)/page/year: 26OCT1982

Storage condition

其他信息

  • MOL 文件:602-01-7.mol
  • Sigma Aldrich:602-01-7(sigmaaldrich)
  • 方法一:2-亚硝基-3-硝基甲苯和65%硝酸在40-55℃反应2.5h，冷却，过滤，洗涤，干燥，即得2,3-二硝基甲苯。
  • 上游原料:3-硝基甲苯
  • 用途一:用于有机合成。

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Nitro Compounds 硝基化合物
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. D - Alphabetic
  5. DID - DIN - D
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Environmental Standards - Chromatography
  5. Volatiles/ Semivolatiles - Environmental Standards
  6. Alpha Sort - Volatiles/ Semivolatiles
  7. D - Alpha Sort

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