4-Bromo-N,N-dimethylaniline 4-溴-N,N-二甲基苯胺

CAS 586-77-6 MFCD00000093

化学结构图

586-77-6
SMILES: CN(C)c1ccc(Br)cc1

化学属性

Mol. FormulaC8H10BrN
Mol. Weight200.08
Density1.422
Boiling Point264°C at 760 mmHg
Melting Point52-54°C
Flash Point>113°C
TSCAYes
Appearance 白色片状结晶。熔点54－56℃，沸点264℃。

别名和识别编码

Chemical Name4-Bromo-N,N-dimethylaniline
CAS Number586-77-6
EC Number209-582-2
Beilstein Registry Number2206155
MDL NumberMFCD00000093
Reaxys-RN2206155
PubChem Substance ID11465
Alfabeta NameBROMODIMETHYLANILINE NN4---,
Synonym 4-Bromo-N,N-dimethylaniline {LY} 4-Bromo-N,N-dimethylaniline {} {LY} 4-Bromo-N,N-dimethylaniline {} {} {LY} 4-Bromo-N,N-dimethylaniline {} {} {} {LY} 4-Bromo-N,N-dimethylaniline {} {} {} {} {LY} 4-Bromo-N,N-dimethylaniline {} {} {} {} {} {LY} 4-Bromo-N,N-dimethylaniline {} {} {} {} {} {} {LY} 4-Bromo-N,N-dimethylaniline {} {} {} {} {} {} {} {LY} 4-Bromo-N,N-dimethylaniline {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} 4-Bromo-N,N-dimethylaniline {} {} {} {} {} {} {} {} {} {LY} 4-Bromo-N,N-dimethylaniline {} {} {} {} {} {} {} {} {} {} {LY} 4-Bromo-N,N-dimethylaniline {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Bromo-N,N-dimethylaniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Bromo-N,N-dimethylaniline {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Bromo-N,N-dimethylaniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Bromo-N,N-dimethylaniline {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation4-溴-N,N-二甲基苯胺
InChIKeyXYZWMVYYUIMRIZ-UHFFFAOYSA-N
Wiswesser Line NotationER DN1&1
LabNetwork Molecule IDLN00173112
InChIInChI=1S/C8H10BrN/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,1-2H3
Canonical SMILESC1=C(N(C)C)C=CC(=C1)Br
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分类

  • Amines, Building Blocks, C8, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {SA} Amines, Building Blocks, C8, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

  • Beil. 12 ,IV,1499
  • Aldrich MSDS 1 , 248:B / Corp MSDS 1 (1), 525:D / FT-IR 2 (2), 2050:B / FT-IR 1 (1), 1261:D / FT-NMR 1 (2), 482:B / NMR-Reference 2 (1), 1011:C / RegBook 1 (1), 1397:F / Structure Index 1 , 217:D:1 / Vapor Phase 3 , 1127:B
  • Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic compounds ISBN: 978-3-540-44359-9 (print) ISBN: 978-3-540-45860-9 (online) Internet Resource: doi:10.1007/978-3-540-45860-9 RefComment: VIII, 503 p. With CD-ROM., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds, oils, paraffins and polyethylenes; Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds. The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005. The calculated values of diamagnetic susceptibility of organic compounds in the present subvolume II/27B are presented along with their experimental values. They have been calculated with the use of structural parameters in structural formula by using different theoretical methods available in the literature.
  • 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: 3-5

安全信息

Signal word
GHS Symbol
WGK Germany3
Safety Statements
  • 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 Wear suitable protective clothing 穿戴适当的防护服；
  • 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）；
  • S37 Wear suitable gloves 戴适当手套；
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后，立即用大量…（由生产厂家指定）冲洗；
Risk Statements
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
  • 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
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
  • R33 Danger of cumulative effects 有累积作用的危险
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+P312
  • P301+P312+P330
  • P302+P352
  • P302+P352+P312+P362+P364
  • P304+P312
  • P304+P340
  • P304+P340+P312
  • 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。
  • 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
  • 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。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECSBW9300000
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H302+H312+H332
  • H312 Harmful in contact with skin 皮肤接触有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn Xn,Xi
Warnings IRRITANT
Packing GroupIII
Hazard Class6.1(b)
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
UN Number 2811 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 90,260,1947

其他信息

  • 可燃性危险特性:热分解排出有毒溴化物和氮氧化物烟雾
  • Acros Organics:4-溴-N,N-二甲基苯胺 4-Bromo-N,N-dimethylaniline, 99%(586-77-6)
  • 类别:有毒物质
  • 毒性分级:高毒
  • 灭火剂:水,干粉、二氧化碳、泡沫、1211灭火剂
  • TCI Shanghai:4-溴-N,N-二甲基苯胺 4-Bromo-N,N-dimethylaniline,>;97.0%(GC)(586-77-6)
  • F:8
  • MOL 文件:586-77-6.mol
  • 下游产品:4-二甲基氨基苯硼酸盐
  • 4-溴-N,N-二甲基苯胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0585 4-溴-N,N-二甲基苯胺 4-Bromo-N,N-dimethylaniline 500G 2610元 2014/06/02 B0585 4-溴-N,N-二甲基苯胺 4-Bromo-N,N-dimethylaniline 25G 280元 2010/06/21 222210250 4-溴-N,N-二甲基苯胺 4-Bromo-N,N-dimethylaniline 99% 25 GR 341元
  • 储运特性:库房通风低温干燥; 防火,与食品原料类分开存放
  • Alfa Aesar:4-溴-N,N-二甲基苯胺,98+% 4-Bromo-N,N-dimethylaniline, 98+%(586-77-6)
  • 急性毒性:口服-大鼠 LD50: 500 毫克/公斤
  • 用途一:用于有机合成、制药等
  • 爆炸物危险特性:加热可爆炸
  • 海关编码:29214290
  • Sigma Aldrich:586-77-6(sigmaaldrich)
  • Hazard Note:Irritant
  • 图谱信息:4-溴-N,N-二甲基苯胺(586-77-6)核磁图( 1 HNMR) 4-溴-N,N-二甲基苯胺(586-77-6)红外图谱(IR2) 4-溴-N,N-二甲基苯胺(586-77-6)红外图谱(IR1) 4-溴-N,N-二甲基苯胺(586-77-6)核磁图( 13 CNMR) 4-溴-N,N-二甲基苯胺(586-77-6)质谱(MS) 4-溴-N,N-二甲基苯胺(586-77-6)Raman光谱
  • MSDS 信息:4-Bromo-N,N-dimethylaniline(586-77-6).msds
  • 上游原料:溴 --> N,N-二甲基苯胺

系列性分类

  1. C8 - Amines
  1. C12 - 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. Amidates/Imidates - Nitrogen Compounds
  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. C7

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