4'-Bromoacetanilide 4-溴乙酰苯胺

CAS 103-88-8 MFCD00000092

化学结构图

103-88-8
SMILES: CC(=O)Nc1ccc(Br)cc1

化学属性

Mol. FormulaC8H8BrNO
Mol. Weight214.05922
Melting Point165-169 °C
TSCAYes
Solubility难溶
Appearance 4'-溴乙酰苯胺(103-88-8)为浅黄色结晶或粉末状结晶。熔点168℃，相对密度1.717。溶于苯、氯仿、乙酸乙酯，略溶于醇，微溶于热水，不溶于冷水。
Boiling Point353.4 °C at 760 mmHg

别名和识别编码

Chemical Name4'-Bromoacetanilide
MDL NumberMFCD00000092
CAS Number103-88-8
Beilstein Registry Number12(3)1437
Reaxys-RN2208091
PubChem Substance ID87563555
Merck Number1399
Synonym N-(4-bromophenyl)acetamide {LY} N-(4-bromophenyl)acetamide {} {LY} N-(4-bromophenyl)acetamide {} {} {LY} N-(4-bromophenyl)acetamide {} {} {} {LY} N-(4-bromophenyl)acetamide {} {} {} {} {LY} N-(4-bromophenyl)acetamide {} {} {} {} {} {LY} N-(4-bromophenyl)acetamide {} {} {} {} {} {} {LY} N-(4-bromophenyl)acetamide {} {} {} {} {} {} {} {LY} N-(4-bromophenyl)acetamide {} {} {} {} {} {} {} {} {LY} N-(4-bromophenyl)acetamide {} {} {} {} {} {} {} {} {} {LY} N-(4-bromophenyl)acetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-(4-bromophenyl)acetamide {} {} {} {} {} {} {} {} {} {} {} {LY} N-(4-bromophenyl)acetamide {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-(4-bromophenyl)acetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-(4-bromophenyl)acetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-(4-bromophenyl)acetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
EC Number203-154-9
Alfabeta NameBROMOACETANILIDE 4-'
Chemical Name Translation4-溴乙酰苯胺
Wiswesser Line NotationER DMV1
LabNetwork Molecule IDLN00182753
InChIInChI=1S/C8H8BrNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
Canonical SMILESO=C(C)NC(C=C1)=CC=C1Br
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分类

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

相关文献及参考

  • Merck 14 ,1399
  • Beil. 12 ,IV,1504
  • FT-IR 1 (2), 357:D / FT-IR 2 (2), 2968:C / IR-Spectra (2), 934:C / IR-Spectra (3), 1068:C / NMR-Reference 2 (2), 337:B / RegBook 1 (2), 1997:J / Sax 6 , 520 / Structure Index 1 , 319:E:4
  • Short: III/20b Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei Cl ... Rb Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/20b Year: 1988 Keyword: NQR ISBN: 3-540-18483-X ISBN: 978-3-540-18483-6 Internet Resource: DOI:10.1007/b86664 RefComment: IX,717 pages. Hardcover Abstract: Nuclear Quadrupole Resonance Spectroscopy has become a standard method for structural research in molecular and solid state physics as well as for different branches of chemistry. The volumes cover data for more than 8,000 substances in the solid state. Data for free molecules have been published in volumes II/14 and II/15 of the New Series. The tables are arranged according to the atomic number of the elements.
  • Short: III/35B Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Fluorine-19 and Nitrogen-15 Author: Balasubramanian, M.; Gupta, R.R.; Jain, M.; Perumal, S. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35B Year: 1998 ISBN: 3-540-63275-1 ISBN: 978-3-540-63275-7 Internet Resource: DOI:10.1007/b55685 RefComment: VII, 242 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

安全信息

RTECSAD9625000
Signal word Warning {} {} {} {} {} {TCI}
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
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。
  • P332+P313
  • P305+P351+P338+P337+P313
  • P302+P350
  • 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
  • P337+P313
  • P302+P352+P332+P313+P362+P364
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • 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；
  • S37 Wear suitable gloves 戴适当手套；
WGK Germany3
GHS Symbol
Hazard Codes Xi
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
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Warnings IRRITANT
Packing GroupIII
Hazard Class6.1(b)
UN Number 2811 
TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NCNSA6 National Academy of Sciences, National Research Council,
   Chemical-Biological Coordination Center, Review.  (Washington, DC)
   Volume(issue)/page/year: 5,10,1953

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 250 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD277-689

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 {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

  • 上游原料:乙酐 --> 碳酸氢钠 --> 4-溴苯胺 --> 亚硫酸氢钠溶液
  • 图谱信息:4'-溴乙酰苯胺(103-88-8)Raman光谱 4'-溴乙酰苯胺(103-88-8)核磁图( 1 HNMR) 4'-溴乙酰苯胺(103-88-8)质谱(MS) 4'-溴乙酰苯胺(103-88-8)红外图谱(IR1) 4'-溴乙酰苯胺(103-88-8)红外图谱(IR2)
  • Sigma Aldrich:103-88-8(sigmaaldrich)
  • MOL 文件:103-88-8.mol
  • Acros Organics:4'-溴乙酰苯胺 ** 4'-Bromoacetanilide, 98%(103-88-8)
  • Hazard Note:Irritant
  • 用途一:有机合成中间体。
  • TCI Shanghai:4'-溴乙酰苯胺 4'-Bromoacetanilide,>;98.0%(GC)(103-88-8)
  • Alfa Aesar:4'-溴乙酰苯胺,98% 4'-Bromoacetanilide, 98%(103-88-8)
  • 4'-溴乙酰苯胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0534 4'-溴乙酰苯胺 4'-Bromoacetanilide 500G 3250元 2014/06/02 B0534 4'-溴乙酰苯胺 4'-Bromoacetanilide 25G 422元 2010/06/21 171570250 4'-溴乙酰苯胺 4'-Bromoacetanilide 98% 25 GR 679元
  • 方法一:由乙酰苯胺经溴化而得。将乙酰苯胺溶于乙醇中，冷至10℃左右，慢慢加溴，温度控制在20-25℃，约1.5-2h加完，再搅拌0.5h，放置一天，然后倒至亚硫酸氢钠溶液中，过滤，水洗，再用乙醇重结晶即得成品。

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. Nitrogen Compounds 氮化合物
  5. Protected Amines - Nitrogen Compounds
  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. Polyamines

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