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