2-Bromo-4-methylaniline 2-溴-4-甲基苯胺

CAS 583-68-6 MFCD00007635

化学结构图

583-68-6
SMILES: Cc1ccc(N)c(Br)c1

化学属性

Mol. FormulaC7H8BrN
Mol. Weight186.05
Refractive index1.6000 to 1.6030
Boiling Point240°C at 760 mmHg
Density1.5
Melting Point14-16°C
Flash Point110°C
TSCAYes
Appearance 无色液体。熔点26℃，沸点240℃，相对密度1.500，折光率1.6020。与醇、醚混溶，不溶于水。
pH:A

别名和识别编码

Chemical Name2-Bromo-4-methylaniline
CAS Number583-68-6
Alfabeta NameBROMOMETHYLANILINE 24---
MDL NumberMFCD00007635
Synonym 2-Bromo-4-methylaniline {LY} 2-Bromo-4-methylaniline {} {LY} 2-Bromo-4-methylaniline {} {} {LY} 2-Bromo-4-methylaniline {} {} {} {LY} 2-Bromo-4-methylaniline {} {} {} {} { {} {} {} {} {LY} 2-Bromo-4-methylaniline {} {} {} {} {} {LY} 2-Bromo-4-methylaniline {} {} {} {} {} {} {LY} 2-Bromo-4-methylaniline {} {} {} {} {} {} {} {LY} 2-Bromo-4-methylaniline {} {} {} {} {} {} {} {} {LY} 2-Bromo-4-methylaniline {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-4-methylaniline {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-4-methylaniline {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-4-methylaniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-4-methylaniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-4-methylaniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-4-methylaniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID11422
EC Number209-515-7
Beilstein Registry Number1931711
Reaxys-RN1931711
Chemical Name Translation2-溴-4-甲基苯胺
InChIKeyUVRRJILIXQAAFK-UHFFFAOYSA-N
Wiswesser Line NotationZR BE D1
LabNetwork Molecule IDLN00009140
InChIInChI=1S/C7H8BrN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
Canonical SMILESC1=C(C(=CC=C1C)N)Br
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分类

  • Amines, Building Blocks, C7, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {SA} Amines, Building Blocks, C7, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

  • Beil. 12 ,IV,1992
  • Aldrich MSDS 1 , 262:D / Corp MSDS 1 (1), 545:D / FT-IR 2 (2), 2069:A / FT-IR 1 (1), 1220:D / FT-NMR 1 (2), 506:B / IR-Spectra (3), 731:F / IR-Spectra (2), 645:B / NMR-Reference 2 (1), 1031:B / RegBook 1 (1), 1411:D / Sax 6 , 540 / Structure Index 1 , 219:D:6 / Vapor Phase 3 , 1141:A
  • 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: 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

Warnings IRRITANT
GHS Symbol
WGK Germany3
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
  • H301+H311+H331
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes T,Xi T
RTECSXU4300000
Precautionary statements
  • 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
  • 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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P332+P313
  • P302+P352+P312+P361+P364
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P405 Store locked up. 上锁保管。
  • P304+P340+P311
  • P305+P351+P338+P337+P313
  • P403+P233
Signal word
Safety Statements
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • 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）；
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
  • R33 Danger of cumulative effects 有累积作用的危险
  • 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
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
UN Number UN2810
Packing GroupIII
Hazard Class6.1 
TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 1 umol/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 77,317,1980

Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 方法一:将对甲苯胺与冰乙酸加热回流2h转化为N-乙酰对甲苯胺，冷却至45℃，滴加溴，溴化反应控制在50-55℃下进行。将反应物注入亚硫酸钠水溶液中，析出3-溴-4-乙酰氨基甲苯。然后用浓盐酸水解，所得盐酸盐与氢氧化钠溶液作用，即得游离的2-溴-4-甲基苯胺。产率51-57%。
  • 储运特性:库房通风低温干燥
  • 灭火剂:水,二氧化碳、砂土、泡沫、砂土
  • MOL 文件:583-68-6.mol
  • Hazard Note:Irritant/Toxic
  • 图谱信息:2-溴-4-甲基苯胺(583-68-6)核磁图( 1 HNMR) 2-溴-4-甲基苯胺(583-68-6)红外图谱(IR2) 2-溴-4-甲基苯胺(583-68-6)核磁图( 13 CNMR) 2-溴-4-甲基苯胺(583-68-6)红外图谱(IR1) 2-溴-4-甲基苯胺(583-68-6)质谱(MS)
  • 上游原料:亚硫酸钠 --> 4-甲基乙酰苯胺 --> 4-乙酰氨基甲苯
  • 2-溴-4-甲基苯胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0540 2-溴-4-甲基苯胺 2-Bromo-4-methylaniline 25G 787元 2010/06/21 154240500 2-溴-4-甲基苯胺 2-Bromo-4-methylaniline 98% 50 ML 2259元 2010/06/21 154240100 2-溴-4-甲基苯胺 2-Bromo-4-methylaniline 98% 10 ML 617元
  • 用途一:有机合成中间体。
  • Alfa Aesar:2-溴-4-甲基苯胺,99% 2-Bromo-4-methylaniline, 99%(583-68-6)
  • 下游产品:3-溴甲基苯 --> 5-甲基吲哚 --> 2-溴-4-甲基苯酚
  • 海关编码:29214300
  • TCI Shanghai:2-溴-4-甲基苯胺 2-Bromo-4-methylaniline,>;98.0%(GC)(583-68-6)
  • MSDS 信息:4-Amino-3-bromotoluene(583-68-6).msds
  • 类别:有毒物品
  • Acros Organics:2-溴-4-甲基苯胺 2-Bromo-4-methylaniline, 98%(583-68-6)
  • 可燃性危险特性:明火可燃; 受热分解有毒溴化物气体

系列性分类

  1. C7 - Amines
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Halogenated Hydrocarbons 卤代烃
  5. Aryl 芳基卤代烃
  1. C10 to C11 - Amines
  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. Amines 胺
  6. C2 to C6

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