2-Chloro-6-Nitrotoluene 2-氯-6-硝基甲苯

CAS 83-42-1 MFCD00007205

化学结构图

83-42-1
SMILES: Cc1c(Cl)cccc1[N+](=O)[O-]

化学属性

Mol. FormulaC7H6ClNO2
Mol. Weight171.58
Density1.324
Boiling Point238°C at 760 mmHg
Melting Point34-36°C
Flash Point125°C
TSCAYes
Solubility92 MG/L (20 ºC)

别名和识别编码

Chemical Name2-Chloro-6-Nitrotoluene
Synonym 2-Chloro-6-nitrotoluene {LY} 2-Chloro-6-nitrotoluene {} {LY} 2-Chloro-6-nitrotoluene {} {} {LY} 2-Chloro-6-nitrotoluene {} {} {} {LY} 2-Chloro-6-nitrotoluene {} {} {} {} {LY} 2-Chloro-6-nitrotoluene {} {} {} {} {} {LY} 2-Chloro-6-nitrotoluene {} {} {} {} {} {} {LY} 2-Chloro-6-nitrotoluene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-6-nitrotoluene {} {} {} {} {} {} {} {} {LY} 2-Chloro-6-nitrotoluene {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-6-nitrotoluene {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-6-nitrotoluene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-6-nitrotoluene {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-6-nitrotoluene {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-6-nitrotoluene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-6-nitrotoluene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number83-42-1
EC Number201-475-9
Beilstein Registry Number5,327
MDL NumberMFCD00007205
PubChem Substance ID6740
Alfabeta NameCHLORONITROTOLUENE 26---
Reaxys-RN1239924
Chemical Name Translation2-氯-6-硝基甲苯
Wiswesser Line NotationWNR CG B1
LabNetwork Molecule IDLN00224966
InChIInChI=1S/C7H6ClNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3
Canonical SMILESCC1=C(Cl)C=CC=C1[N+]([O-])=O
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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
  • {Chemicalbook} 农药中间体: 杀虫剂中间体: 苯甲酰脲类杀虫剂

相关文献及参考

  • Beilstein:5,327
  • Short: EINECS
  • Short: III/20b
  • Short: III/38B

安全信息

Signal word
GHS Symbol
WGK Germany3
Safety Statements
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • 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
Precautionary statements
  • 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。
  • 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。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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
  • P301+P310+P330
  • P301+P312
  • P302+P352
  • P302+P352+P312+P361+P364
  • P304+P340+P311
  • 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。
  • 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
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P322 Specific measures (see …on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P337+P313
  • P361 Remove/Take off immediately all contaminated clothing. 立即去除/脱掉所有被污染的衣服。
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H301+H311+H331
  • H302 Harmful if swallowed 吞食有害
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • 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
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSXS9130000
Packing GroupIII
UN Number 2433/3457 3457 UN 3457 6.1/PG 3 UN3457
Hazard Codes Xn Xn,Xi,N Xn,N
Warnings IRRITANT
Hazard Class6.1
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 56 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#03505

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 下游产品:2,6-二氯甲苯 --> 2,4-二氯甲苯 --> 2,6-二氯苯甲醛 --> 3-氯-2-甲基苯胺 --> 4-氯-2-硝基甲苯
  • 方法二:由邻硝基甲苯经氯化而得。先将邻硝基甲苯、无水三氯化铁(催化剂),加入反应器中,于50-60℃通入氯气,至反应物的相对密度达1.27-1.29(48-50℃)或1.31-1.32(26-28℃)为止。用5%盐酸洗三次,再用水洗两次,最后加液碱调节pH为7。分尽水层,蒸去水分后,减压分馏,收集120-150℃(5.33-8.0kPa)的馏分,冷却,析出晶体。过滤即得成品。收率为40%以上。
  • Acros Organics:2-氯-6-硝基甲苯 2-Chloro-6-nitrotoluene, 99%(83-42-1)
  • Sigma Aldrich:83-42-1(sigmaaldrich)
  • Hazard Note:Irritant
  • MOL 文件:83-42-1.mol
  • 灭火剂:水, 二氧化碳, 干粉, 砂土
  • 用途一:用于合成3-氯-2-甲基苯胺、2,6-二氯苯甲醛等
  • MSDS 信息:6-硝基-2-氯甲苯(83-42-1).msds
  • 2-氯-6-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 C0230 2-氯-6-硝基甲苯 2-Chloro-6-nitrotoluene 500G 1270元 2014/06/02 C0230 2-氯-6-硝基甲苯 2-Chloro-6-nitrotoluene 25G 156元 2010/06/21 146530010 2-氯-6-硝基甲苯 2-Chloro-6-nitrotoluene 99% 1 KG 2455元
  • 类别:有毒物质
  • 方法一:制备方法是由邻硝基甲苯氯化得到 2-氯-6-硝基甲苯。 将邻硝基氯苯和催化剂碘、无水三氯化铁加入反应器中,于 50~60℃ 通入氯气,至反应物的相对密度达 1.27~1.29 (48~50℃)为止。用 5%盐酸洗 3 次,再用水洗 2 次,最后加碱液调节 pH=7。分尽水层,蒸去水分后减压分馏,收集 120~150℃/5.3~8 kPa 的馏分,冷却,析出晶体,过滤即得到 2-氯-6-硝基甲苯。
  • 储运特性:库房低温, 通风, 干燥 ; 防火; 与氧化剂, 食品原料分开存放
  • Alfa Aesar:2-氯-6-硝基甲苯,98+% 2-Chloro-6-nitrotoluene, 98+%(83-42-1)
  • TCI Shanghai:2-氯-6-硝基甲苯 2-Chloro-6-nitrotoluene,>;99.0%(GC)(83-42-1)
  • 用途三:有机合成中间体。
  • 水中溶解度: 92 mg/l (20°C)
  • 毒性分级:高毒
  • 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
  • 图谱信息:2-氯-6-硝基甲苯(83-42-1)核磁图( 1 HNMR) 2-氯-6-硝基甲苯(83-42-1)Raman光谱 2-氯-6-硝基甲苯(83-42-1)红外图谱(IR3) 2-氯-6-硝基甲苯(83-42-1)核磁图( 13 CNMR) 2-氯-6-硝基甲苯(83-42-1)红外图谱(IR1) 2-氯-6-硝基甲苯(83-42-1)质谱(MS) 2-氯-6-硝基甲苯(83-42-1)红外图谱(IR2)
  • 外观性质:黄色针状结晶。
  • 用途二:2-氯-6-硝基甲苯可用于合成氟铃脲的中间体 2,6-二氯-二氯苄和除草剂二氯喹啉酸的中间体 3-氯-2-甲基苯胺。
  • 上游原料:三氯化铁 --> 邻氯硝基苯 --> 2-硝基甲苯
  • 急性毒性:静脉-小鼠 LD50: 56 毫克/公斤

系列性分类


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