2-Bromoanisole 邻溴苯甲醚(邻甲氧基溴苯)

CAS 578-57-4 MFCD00000064

化学结构图

578-57-4
SMILES: COc1ccccc1Br

化学属性

Mol. FormulaC7H7BrO
Mol. Weight187.03
Density1.502
Refractive index1.5710 to 1.5770
Boiling Point216°C at 760 mmHg
Melting Point2°C
TSCAT
Flash Point101°C(lit.)
Appearance 无色或淡黄色液体,密度 ; 1.5,熔点 ; 2°C,沸点 ; 223°C ,折射率 ; 1.573-1.575 ,闪点 ; 96°C
pH:A

别名和识别编码

Chemical Name2-Bromoanisole
CAS Number578-57-4
EC Number209-425-8
Beilstein Registry Number1859996
MDL NumberMFCD00000064
Reaxys-RN1859996
PubChem Substance ID11358
Synonym 1-BROMO-2-METHOXYBENZENE 1-Bromo-2-methoxybenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Alfabeta NameBROMOANISOLE 2-
Chemical Name Translation邻溴苯甲醚(邻甲氧基溴苯)
InChIKeyHTDQSWDEWGSAMN-UHFFFAOYSA-N
Wiswesser Line NotationER BO1
LabNetwork Molecule IDLN00117387
InChIInChI=1S/C7H7BrO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
Canonical SMILESCOC1=CC=CC=C1Br
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分类

  • {SNA} Building Blocks, C2 to C7, Chemical Synthesis, Ethers, Organic Building Blocks, Oxygen Compounds
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ether; 1fragment
  • Building Blocks, C2 to C8, Chemical Synthesis, Ethers, Organic Building Blocks, Oxygen Compounds

相关文献及参考

  • Short: II/27B
  • Short: II/5
  • Beilstein:6,197

安全信息

Signal word Warning
GHS Symbol
WGK Germany2
Safety Statements
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中,参考特别指示/安全收据说明书;
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
  • R51/53
Precautionary statements
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECSBZ8500000
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
Personal Protective Equipment Eyeshields, Gloves
Hazard Codes 9
Packing GroupIII
UN Number 3082
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1544 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 44(12),19,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2466 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 44(12),19,1979

Storage condition Store at room temperature

其他信息

  • 图谱信息:2-溴苯甲醚(578-57-4)Raman光谱 2-溴苯甲醚(578-57-4)红外图谱(IR1) 2-溴苯甲醚(578-57-4)核磁图( 13 CNMR) 2-溴苯甲醚(578-57-4)质谱(MS) 2-溴苯甲醚(578-57-4)核磁图( 1 HNMR) 2-溴苯甲醚(578-57-4)红外图谱(IR2)
  • 储运特性:库房通风低温干燥
  • TCI Shanghai:2-溴苯甲醚 2-Bromoanisole,>;98.0%(GC)(578-57-4)
  • Alfa Aesar:2-溴苯甲醚,98% 2-Bromoanisole, 98%(578-57-4)
  • MOL 文件:578-57-4.mol
  • TSCA:T
  • 毒性分级:中毒
  • 下游产品:(1R,2R)-双[(2-甲氧基苯基)苯基磷]乙烷 --> 2-甲氧基苯基硼酸
  • Sigma Aldrich:578-57-4(sigmaaldrich)
  • 灭火剂:水, 沙土,二氧化碳, 干粉, 泡沫
  • 海关编码:29093038
  • 类别:有毒物质
  • 2-溴苯甲醚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0546 2-溴苯甲醚 2-Bromoanisole 500G 4500元 2014/06/02 B0546 2-溴苯甲醚 2-Bromoanisole 25G 522元 2010/06/21 170261000 2-溴苯甲醚 2-Bromoanisole 97% 100 ML 1804元
  • 用途一:用于合成香料
  • Acros Organics:2-溴苯甲醚/邻甲氧基溴苯 2-Bromoanisole, 97%(578-57-4)
  • 上游原料:苯甲醚
  • 不溶于水
  • MSDS 信息:2-Bromoanisole(578-57-4).msds
  • 急性毒性:口服-小鼠 LD50: 2466 毫克/公斤; 腹腔-小鼠 LD50: 1544 毫克/公斤
  • F:8-10-23
  • 可燃性危险特性:热分解排出有毒溴化物气体

系列性分类