3-Bromoaniline 间溴苯胺

CAS 591-19-5 MFCD00007757

化学结构图

591-19-5
SMILES: Nc1cccc(Br)c1

化学属性

Mol. FormulaC6H6BrN
Mol. Weight172.02
Boiling Point251
Melting Point15-18
TSCAT
Density1.580
Refractive index1.6230 to 1.6280
Flash Point>110°C
Solubility微溶于水，溶于乙醇、乙醚。
Stability对光线敏感，对湿度敏感

别名和识别编码

Chemical Name3-Bromoaniline
CAS Number591-19-5
Alfabeta NameBROMOANILINE 3-
MDL NumberMFCD00007757
Synonym 3-Bromoaniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
EC Number209-704-4
Beilstein Registry Number742028
PubChem Substance ID87563563
Reaxys-RN742028
Chemical Name Translation间溴苯胺
InChIKeyDHYHYLGCQVVLOQ-UHFFFAOYSA-N
LabNetwork Molecule IDLN00117502
InChIInChI=1S/C6H6BrN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2
Canonical SMILESNC1=CC=CC(Br)=C1
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分类

  • Aromatics
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {SNA} Amines, Building Blocks, C6, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks

产品应用

  • 有机合成。

相关文献及参考

  • Short: II/27B
  • Chandregowda, V., et al.: Eur. J. Med. Chem., 44, 2711 (2009),
  • Getlik, M., et al.: J. Med. Chem., 52, 3915 (2009),
  • Beilstein:12,633
  • Short: III/20a

安全信息

Warnings IRRITANT-HARMFUL, TOXIC 危化品目录(2015) 危险化学品
Signal word Warning
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；
  • 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；
  • 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
  • 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
  • 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
  • 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
  • R38 Irritating to skin 刺激皮肤
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+P330
  • P302+P352+P312+P362+P364
  • P304+P340+P312
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302+H312
  • H302+H312+H332
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSCX9855300
Packing GroupIII
UN Number 2810 UN 2810 6.1/PG 2 UN2810
Hazard Codes 6.1 T,Xi,Xn Xn
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard Class6.1 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 140 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TOXID9 Toxicologist.  (Soc. of Toxicology, Inc., 475 Wolf Ledge Parkway,
   Akron, OH 44311) V.1-    1981-  Volume(issue)/page/year: 14,66,1994

其他信息

  • Hazard Note:Harmful/Irritant
  • 急性毒性:腹腔-大鼠 LDL0:140 毫克/公斤
  • TCI Shanghai:3-溴苯胺 3-Bromoaniline,>;97.0%(GC)(591-19-5)
  • 类别:有毒物品
  • 外观性质:淡黄色液体或结晶。
  • 用途二:有机合成中间体。
  • 对光和空气敏感。溶于乙醇和乙醚等有机溶剂，不溶于水。有毒。有刺激性。
  • 图谱信息:间溴苯胺(591-19-5)核磁图( 1 HNMR) 间溴苯胺(591-19-5)质谱(MS) 间溴苯胺(591-19-5)核磁图( 13 CNMR) 间溴苯胺(591-19-5)红外图谱(IR1)
  • 储运特性:库房通风低温干燥; 与氧化剂、酸类、食品添加剂分开存放
  • 海关编码:29214210
  • MOL 文件:591-19-5.mol
  • TSCA:T
  • Acros Organics:3-溴苯胺 3-Bromoaniline, 98%(591-19-5)
  • 方法一:由间硝基苯胺经重氮化、溴化、还原而得。
  • 可燃性危险特性:遇明火可燃; 燃烧产生有毒氮氧化物和溴化物烟雾
  • Alfa Aesar:3-溴苯胺,98% 3-Bromoaniline, 98%(591-19-5)
  • F:8-10-23
  • 用途一:用作有机合成原料、医药中间体
  • Sigma Aldrich:591-19-5(sigmaaldrich)
  • 毒性分级:高毒
  • 间溴苯胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0542 3-溴苯胺 3-Bromoaniline 25G 656元 2010/06/21 177210250 间溴苯胺 3-Bromoaniline 98% 25 ML 1083元 2010/06/21 177211000 间溴苯胺 3-Bromoaniline 98% 100 ML 2829元
  • 上游原料:3-硝基苯胺
  • 下游产品:3-氨基联苯 --> 3-(二甲基氨基)苯硼酸 --> 7-溴喹啉 --> 7-溴-3,4-二氢-4-羰基喹啉-3-羧酸 --> 3-(4-甲基哌嗪-1-基)苯硼酸 --> 4-(3-溴苯基)吗啉 --> 3-溴苯磺胺 --> 7-溴-3,4-二氢-4-羰基喹啉-3-羧酸乙酯 --> 6-溴靛红 --> 3-溴苯基异氰酸酯 --> 3-溴苯硫酚 --> 1,3-二溴苯 --> 3-溴乙酰苯胺
  • MSDS 信息:间溴苯胺(591-19-5).msds
  • 灭火剂:二氧化碳、泡沫、砂土、雾状水

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Others 其他杂环
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Others 其他杂环
  1. C6 - Amines
  1. C10 - 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. C11 to C38

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