3-Bromophenol 3-溴苯酚

CAS 591-20-8 MFCD00002253

化学结构图

591-20-8
SMILES: Oc1cccc(Br)c1

化学属性

Mol. FormulaC6H5BrO
Mol. Weight173.01
Boiling Point237°C(lit.)
Melting Point28-32 °C(lit.)
TSCAT
Density1.63
Refractive index1.5972
Flash Point>110°C
Solubility不溶于水，溶于乙醇、乙醚、碱液。
Stability对光敏感
pH:A

别名和识别编码

Chemical Name3-Bromophenol
CAS Number591-20-8
Alfabeta NameBROMOPHENOL 3-
MDL NumberMFCD00002253
Synonym 3-Bromophenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID11563
EC Number209-706-5
Beilstein Registry Number6,198
Reaxys-RN1853950
Merck Number1428
Chemical Name Translation3-溴苯酚
LabNetwork Molecule IDLN00115347
InChIInChI=1S/C6H5BrO/c7-5-2-1-3-6(8)4-5/h1-4,8H
Canonical SMILESBrC1=CC(O)=CC=C1
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分类

  • {SNA} Building Blocks, C6 to C8, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Phenols
  • {SNA} B, Bioactive Small Molecules, Building Blocks, C6 to C8, Cell Biology, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Phenols
  • B, Bioactive Small Molecules, Building Blocks, C6 to C8, Cell Biology, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds,
  • {SNA} B, Bioactive Small Molecules, Building Blocks, C6 to C8, C

产品应用

  • 有机合成中间体。

相关文献及参考

  • Merck:14,1428 Beilstein:6,198
  • Short: II/27B
  • Segraves, E.K., et al.: J. Med. Chem. 47, 4060 (2004)
  • Short: III/20b
  • Merck:14,1428

安全信息

Warnings 危化品目录(2015) IRRITANT, LIGHT SENSITIVE, AIR SENSITIVE
GHS Symbol
WGK Germany3
Hazard statements
  • 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
  • H302 Harmful if swallowed 吞食有害
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn Xi Xi,Xn
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。
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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+P332+P313+P362+P364
  • P305+P351+P338+P337+P313
  • P301+P312+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。
Signal word Warning {} {} {} {} {TCI}
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；
  • 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；
  • S36/39 Wear suitable protective clothing and eye/face protection 穿戴适当的防护服和眼睛/面保护；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
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
  • R22 Harmful if swallowed 吞咽有害
  • R21/22 Harmful in contact with skin and if swallowed 皮肤接触和不慎吞咽有害
RTECSSJ7874900
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Packing GroupIII
Hazard Class6.1(b)
UN Number 2811
Restrict 危险品

其他信息

  • MSDS 信息:间溴苯酚(591-20-8).msds
  • 上游原料:氯化钠 --> 溴化亚铜 --> 3-氨基苯酚
  • Alfa Aesar:3-溴苯酚,98+% 3-Bromophenol, 98+%(591-20-8)
  • 间溴苯酚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0629 3-溴苯酚 3-Bromophenol 25G 1120元 2014/06/02 B0629 3-溴苯酚 3-Bromophenol 500G 9360元 2010/06/21 146340100 间溴苯酚 3-Bromophenol 99% 10 GR 494元
  • 检测方法:GC
  • TSCA:T
  • 外观性质:白色至黄色结晶。
  • 用途一:有机合成中间体。
  • TCI Shanghai:3-溴苯酚 3-Bromophenol,>;95.0%(GC)(591-20-8)
  • 图谱信息:间溴苯酚(591-20-8)核磁图( 13 CNMR) 间溴苯酚(591-20-8)红外图谱(IR1) 间溴苯酚(591-20-8)质谱(MS) 间溴苯酚(591-20-8)核磁图( 1 HNMR)
  • Hazard Note:Harmful/Irritant
  • 溶于乙醚、乙醇和氯仿。
  • MOL 文件:591-20-8.mol
  • 海关编码:29081000
  • 下游产品:间溴苯甲醚 --> 3-异丙基苯硼酸 --> 4-溴-2-羟基苯乙酮 --> 4-异丁氧基苯基硼酸 --> 3-吗啉苯酚 --> 3-苄氧基苯硼酸 --> 4-溴-2-羟基苯甲醛
  • F:8-10-23
  • Acros Organics:3-溴苯酚 3-Bromophenol, 99%(591-20-8)
  • 方法一:由间氨基酚重氮化、溴代而得。将间氨基酚溶于硫酸，冷至10℃以下，滴加亚硝酸钠水溶液。重氮化反应后过滤，滤液用溴化亚铜水解。然后蒸馏，收集蒸出液加食盐后过滤，滤液用乙醚提取，提取液干燥，蒸馏回收乙醚，再蒸馏出间溴酚。
  • Sigma Aldrich:591-20-8(sigmaaldrich)

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. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Phenols 酚类
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Phenols 酚类
  6. C6 to C8 - Phenols
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Protected Alcohols/Phenols - Oxygen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Ethers