4-Chloro-3-Nitrotoluene 4-氯-3-硝基甲苯

CAS 89-60-1 MFCD00007085

化学结构图

89-60-1
SMILES: Cc1ccc(Cl)c([N+](=O)[O-])c1

化学属性

Mol. FormulaC7H6ClNO2
Mol. Weight172
Refractive index1.5570 to 1.5580
Boiling Point260
Density1.297
Melting Point7
Flash Point129°C(lit.)
TSCAYes
Appearance 黄色油状液体。 不溶于水。溶于乙醇。
Solubility不溶于水。溶于乙醇。

别名和识别编码

Chemical Name4-Chloro-3-Nitrotoluene
MDL NumberMFCD00007085
CAS Number89-60-1
Synonym Toluene, 4-chloro-3-nitro- 1-Chlor-4-methyl-2-nitrobenzol 2-CHLORO-5-METHYLNITROBENZENE 1-Chloro-4-methyl-2-nitrobenzene 1-chloro-4-methyl-2-nitro-benzene 2-Chloro-5-methylnitrobenzene 3-Nitro-4-chlorotoluene 4-Chloro-3-nitro-1-methylbenzene 2-Chlor-5-methylnitrobenzol 3-NITRO-4-CHLORO TOLUENE M-NITRO-P-CHLOROTOLUENE 4-Chloro-3-nitrotoluene, 97+% 3-硝基-4-氯甲苯 4-chloro-3-nitrotoluene 1-Chloro-2-nitro-4-methylbenzene 4-氯-3-硝基甲苯, 97+% 4-氯-3-硝基甲苯 4-CHLORO-3-NITROTOLUENE, TECH toluene, 4-chloro-3-nitro- 1-氯-4-甲基-2-硝基苯;对氯间硝基甲苯;3-硝基-4-氯甲苯 4-Chloro-3-nitrotoluene 97% 1-CHLORO-4-METHYL-2-NITROBENZENE 4-CHLORO-3-NITROTOLUENE 1-氯-4-甲基-2-硝基苯 1-chloro-4-methyl-2-nitro-benzen toluene,4-chloro-3-nitro- 4-Chlor-3-nitrotoluol 4,3-Chloronitrotoluene 2-Chloro-5-methyl-1-nitrobenzene Benzene, 1-chloro-4-methyl-2-nitro- 对氯间硝基甲苯
PubChem Substance ID87565394
EC Number201-922-8
Beilstein Registry Number511055
Reaxys-RN511055
Chemical Name Translation4-氯-3-硝基甲苯
InChIKeyNWESJZZPAJGHRZ-UHFFFAOYSA-N
LabNetwork Molecule IDLN00224639
InChIInChI=1S/C7H6ClNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {SNA} Building Blocks, Chemical Synthesis, Nitro Compounds, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

  • Short: III/20b Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei Cl ... Rb Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/20b Year: 1988 Keyword: NQR ISBN: 3-540-18483-X ISBN: 978-3-540-18483-6 Internet Resource: DOI:10.1007/b86664 RefComment: IX,717 pages. Hardcover Abstract: Nuclear Quadrupole Resonance Spectroscopy has become a standard method for structural research in molecular and solid state physics as well as for different branches of chemistry. The volumes cover data for more than 8,000 substances in the solid state. Data for free molecules have been published in volumes II/14 and II/15 of the New Series. The tables are arranged according to the atomic number of the elements.
  • Short: III/31a Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei D ... Cu Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/31a Year: 1993 Keyword: NQR ISBN: 3-540-55146-8 ISBN: 978-3-540-55146-1 Internet Resource: DOI:10.1007/b43999 RefComment: VIII, 437 pages. Hardcover Abstract: Volume III/31 continues the compilation of nuclear quadrupole resonance spectroscopy data of solid substances which started in with volume III/20 in 1987 covering the literature from the beginning of nuclear quadrupole resonance spectroscopy in 1951 to 1982 and containing the data for 8000 substances in the solid state, distributed among three subvolumes III/20 a, b, and c. Volume III/31 covers the literature published in the period from the end of 1982 through the end of 1989. Included are the data for substances studied for the first time, as well as data for substances already present in the previous volume III/20 if the data published there could be completed or improved by new studies. In total there are 2500 substances in volume III/31, showing the scope and significance of nuclear quadrupole resonan

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H301+H311+H331
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Signal word Danger
Packing GroupIII
UN Number 2433 UN 2433 6.1/PG 3
Risk Statements
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R33 Danger of cumulative effects 有累积作用的危险
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
  • R51/53
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；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • S57 Use appropriate containment to avoid environmental contamination 使用适当容器避免环境污染；
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；
Hazard Codes 6.1 Xn
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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。
  • P301+P310+P330
  • P302+P352+P312+P361+P364
  • P304+P340+P311
  • P305+P351+P338+P337+P313
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P332+P313
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard Class6.1

其他信息

  • MOL 文件:89-60-1.mol
  • 方法一:由对乙酰氨基甲苯经混酸硝化得对乙酰氨基间硝基甲苯。重氮化氯化亚铜置换而得。
  • Alfa Aesar:4-氯-3-硝基甲苯,97+% 4-Chloro-3-nitrotoluene, 97+%(89-60-1)
  • 用途一:用作医药中间体
  • Sigma Aldrich:89-60-1(sigmaaldrich)
  • TCI Shanghai:4-氯-3-硝基甲苯 4-Chloro-3-nitrotoluene,>;97.0%(GC)(89-60-1)
  • 下游产品:2-甲氧基-5-甲基苯胺 --> 2-氨基-4-甲基苯甲腈 --> 甲氯芬那酸
  • 上游原料:氯化亚铜 --> 3-硝基甲苯
  • 海关编码:29049085
  • 3-硝基-4-氯甲苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0232 4-氯-3-硝基甲苯 4-Chloro-3-nitrotoluene 25G 442元 2010/05/25 A11383 4-氯-3-硝基甲苯, 97+% 4-Chloro-3-nitrotoluene, 97+% 500g 3066元 2010/05/25 A11383 4-氯-3-硝基甲苯, 97+% 4-Chloro-3-nitrotoluene, 97+% 2.5kg 14224元
  • MSDS 信息:4-Chloro-3-nitrotoluene(89-60-1).msds
  • 图谱信息:3-硝基-4-氯甲苯(89-60-1)核磁图( 13 CNMR) 3-硝基-4-氯甲苯(89-60-1)质谱(MS) 3-硝基-4-氯甲苯(89-60-1)红外图谱(IR1)

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. 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

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