Methyl bromophenyl acetate 溴苯乙酸甲酯

CAS 3042-81-7 MFCD00013535

化学结构图

3042-81-7
SMILES: COC(=O)C(Br)c1ccccc1

化学属性

Mol. FormulaC9H9BrO2
Mol. Weight229.07
Density1.455 g/mL at 25 °C(lit.)
Refractive index1.5510 to 1.5550
Boiling Point273.277 °C at 760 mmHg
Flash Point150°C(lit.)
TSCANo

别名和识别编码

Chemical NameMethyl bromophenyl acetate
Synonym Methyl 2-bromo-2-phenylacetate {LY} Methyl 2-bromo-2-phenylacetate {} {LY} Methyl 2-bromo-2-phenylacetate {} {} {LY} Methyl 2-bromo-2-phenylacetate {} {} {} {LY} Methyl 2-bromo-2-phenylacetate {} {} {} {} {LY} Methyl 2-bromo-2-phenylacetate {} {} {} {} {} {LY} Methyl 2-bromo-2-phenylacetate {} {} {} {} {} {} {LY} Methyl 2-bromo-2-phenylacetate {} {} {} {} {} {} {} {LY} Methyl 2-bromo-2-phenylacetate {} {} {} {} {} {} {} {} {LY} Methyl 2-bromo-2-phenylacetate {} {} {} {} {} {} {} {} {} {LY} Methyl 2-bromo-2-phenylacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-bromo-2-phenylacetate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-bromo-2-phenylacetate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-bromo-2-phenylacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-bromo-2-phenylacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-bromo-2-phenylacetate {} {} {} {} {} {}
CAS Number3042-81-7
MDL NumberMFCD00013535
Beilstein Registry Number9(4)1684
PubChem Substance ID137806
EC Number000-000-0
Alfabeta NameMETHYLBROMOPHENYLACETATE ()
Reaxys-RN1102743
Chemical Name Translation溴苯乙酸甲酯
LabNetwork Molecule IDLN00182185
InChIKeyNHFBYYMNJUMVOT-UHFFFAOYSA-N
Canonical SMILESO=C(OC)C(Br)C1=CC=CC=C1
InChIInChI=1S/C9H9BrO2/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8H,1H3
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分类

  • {SNA} Building Blocks, C8 to C9, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; racemate; 1fragment

相关文献及参考

  • Short: III/35C1 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 1: Aliphatic and Aromatic Hydrocarbons, Steroids, Carbohydrates Author: Gupta, R.R.; Jain, M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C1 Year: 2000 ISBN: 3-540-66780-6 ISBN: 978-3-540-66780-3 Internet Resource: DOI:10.1007/b60149 RefComment: VII, 310 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.

安全信息

WGK Germany3
GHS Symbol
Hazard statements
  • H290 May be corrosive to metals 可能腐蚀金属。
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Precautionary statements
  • P234 Keep only in original container. 只保留在原来的容器中。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • 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+P330+P331
  • P301+P330+P331+P310
  • P302+P361+P354
  • P303+P361+P353
  • P303+P361+P353+P310+P363
  • P304+P340
  • P304+P340+
  • P304+P340+P310
  • P305+P351+P338
  • P305+P351+P338+P310
  • P305+P354+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P316
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P390 Absorb spillage to prevent material damage. 吸收溢出物，防止重大损害。
  • P405 Store locked up. 上锁保管。
  • P406 Store in corrosive resistant/… container with a resistant inner liner. 存放在耐腐蚀/具有耐性的内衬容器。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger Warning
Packing GroupII
UN Number 3265 UN3265
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
  • R34 Causes burns 会导致灼伤
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；
  • S36/37/39 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）；
Hazard Codes C
Warnings IRRITANT
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard Class8

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  6. C8 to C9 - Esters