2-Chloro-4-nitrotoluene 2-氯-4-硝基甲苯

CAS 121-86-8 MFCD00007210

化学结构图

121-86-8
SMILES: Cc1ccc([N+](=O)[O-])cc1Cl

化学属性

Mol. FormulaCH3C6H3(NO2)Cl
Mol. Weight172
Melting Point60-64
TSCAYes
Boiling Point260
Flash Point150 ºC
Solubility49 MG/L (20 ºC)

别名和识别编码

Chemical Name2-Chloro-4-nitrotoluene
CAS Number121-86-8
Synonym 1-Chloro-2-methyl-5-nitrobenzene 2-CHLORO-1-METHYL-4-NITROBENZENE 2-CHLORO-4-NITROTOLUENE 2-Chlor-4-nitrotoluen 2-Chloro-1-methyl-4-nitrobenzene 2-Chloro-4-nitrophenylmethane 3-CHLORO-4-METHYLNITROBENZENE 3-Chloro-4-methyl-1-nitrobenzene 3-chloro-4-methyl-1-nitrobenzene 3-chloro-4-methylnitrobenzene[qr] 3-氯-4-甲基硝基苯 4- 4-硝基-2-氯甲苯 Benzene, 1-chloro-2-methyl-5-nitro- Benzene,2-chloro-1-methyl-4-nitro- cnt[qr]
MDL NumberMFCD00007210
PubChem Substance ID87565777
Beilstein Registry Number1817924
EC Number204-501-7
Reaxys-RN1817924
Chemical Name Translation2-氯-4-硝基甲苯
Wiswesser Line NotationWNR CG D1
LabNetwork Molecule IDLN00223883
InChIInChI=1S/C7H6ClNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {Chemicalbook} 农药中间体: 除草剂中间体: 取代脲类除草剂
  • {SNA} Analytical Standards, Organic Pollutant Standards, Volatiles & Semivolatiles, 分析/色谱
  • {SNA} Building Blocks, Chemical Synthesis, Nitro Compounds, Nitrogen Compounds, Organic Building Blocks
  • Intermediates
  • Aromatics

产品应用

  • 2-Chloro-4-nitrotoluene is a substituted toluene used in the preparation of wide range of compounds such as herbicides, analgesics and

相关文献及参考

  • Mei, J. et al.: Nongyao, 48, 476 (2009); Bhattacharya, A. et al.: Tetrahed. Lett., 47, 1861 (2006);
  • Short: III/20a Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei D ... Cl Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/20a Year: 1988 Keyword: NQR ISBN: 3-540-18161-X ISBN: 978-3-540-18161-3 Internet Resource: DOI:10.1007/b31153 RefComment: IX,677 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/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/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-

安全信息

RTECSXS9100000
GHS Symbol
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P305+P351+P338
  • 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
  • P337+P313
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H303 May be harmfully swallowed 吞食可能有害
WGK Germany2
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Signal word Warning
Safety Statements
  • 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;
Packing GroupIII
UN Number 2433/3457 3457
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
  • R22 Harmful if swallowed 吞咽有害
  • 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
  • R52/53
Hazard Codes 6.1 Xn
Hazard Class6.1

其他信息

  • 用途二:有机合成中间体。用于生产绿麦隆。
  • 灭火剂:二氧化碳、砂土、泡沫
  • 方法一:其制备方法是将对硝基甲苯加入到反应釜中,再加入催化剂无水三氯化铁和碘,开动搅拌下,将反应物料升温到55~70℃,通入氯气进行反应,取样用气相色谱跟踪分析,到达终点,停止通氯气,保温1h,然后进行水洗,静置分层,得3-氯-4-甲基硝基苯,结晶得成品。
  • 毒性分级:中毒
  • 刺激数据:皮肤-兔子 500 毫克/24小时 轻度; 眼睛-兔子 500 毫克/ 24小时 轻度
  • Sigma Aldrich:121-86-8(sigmaaldrich)
  • 图谱信息:2-氯-4-硝基甲苯(121-86-8)红外图谱(IR3) 2-氯-4-硝基甲苯(121-86-8)核磁图( 13 CNMR) 2-氯-4-硝基甲苯(121-86-8)质谱(MS) 2-氯-4-硝基甲苯(121-86-8)红外图谱(IR2) 2-氯-4-硝基甲苯(121-86-8)红外图谱(IR1)
  • 可燃性危险特性:可燃, 燃烧时分解有毒氯化物, 氮氧化物气体
  • MSDS 信息:121-86-8.msds
  • Alfa Aesar:2-氯-4-硝基甲苯,98% 2-Chloro-4-nitrotoluene, 98%(121-86-8)
  • 方法二:由对硝基甲苯经氯化而得。先向耐酸陶瓷三口瓶中加入干燥的纯对硝基甲苯,外用水浴加热至55℃,再加入少量碘和铁屑,在50-60℃进通入氯气,数小时后,氯气吸收达理论量即停止。此时瓶内有反应物析出,通蒸汽加热使反应物熔化后抽出,用5%稀盐酸洗涤两次。然后用1%碳酸钠溶液洗涤一次,最后用热水洗涤一次,将油状物搅入冷水中,即成粒状物,过滤,用冷水洗涤,在40℃吹干即得成品。工业生产时,操作过程可在干燥的反应锅中进行,将熔融的硝基甲苯投入反应锅加入铁丝和碘片(或加入三氯化铁),于58-62℃通入等摩尔量的氯气,经热水洗涤、碳酸钠中和后,倒入冰水中,搅拌析出结晶,过滤,阴干即得成品。
  • 储运特性:库房通风低温干燥; 与食品原料、氧化剂分开储运
  • 用途一:3-氯-4-甲基硝基苯是除草剂绿麦隆的中间体。
  • MOL 文件:121-86-8.mol
  • 急性毒性:口服-大鼠 LD50: 3020 毫克/公斤
  • 下游产品:绿麦隆 --> 3-氯对甲苯胺-6-磺酸 --> 2-氯-4-硝基苯甲酸 --> 3-氯对甲苯胺
  • 外观性质:浅黄色针状结晶。
  • TCI Shanghai:2-氯-4-硝基甲苯 2-Chloro-4-nitrotoluene,>;99.0%(GC)(121-86-8)
  • 上游原料:碘 --> 三氯化铁 --> 4-硝基甲苯 --> 铁屑 --> 铁丝 --> 氯气吸收
  • 2-氯-4-硝基甲苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0690 2-氯-4-硝基甲苯 2-Chloro-4-nitrotoluene 500G 1870元 2014/06/02 C0690 2-氯-4-硝基甲苯 2-Chloro-4-nitrotoluene 25G 273元 2011/04/16 C1264 2-氯-4-硝基甲苯 2-Chloro-4-nitrotoluene 500G 789元
  • 类别:有毒物品

系列性分类


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