3-Acetamidoanilide 3-氨基乙酰苯胺

CAS 102-28-3 MFCD00025229

化学结构图

102-28-3
SMILES: CC(=O)Nc1cccc(N)c1

化学属性

Mol. FormulaC8H10N2O
Mol. Weight150.18
Density1.422
Melting Point86-88°C
Solubility1-5 G/100 ML AT 24 ºC
TSCAYes
Appearance 无色针晶或片晶。 易溶于冷水、乙醇、丙酮,微溶于苯。
Boiling Point271.72 °C at 760 mmHg

别名和识别编码

Chemical Name3-Acetamidoanilide
CAS Number102-28-3
Alfabeta NameAMINOPHENYLACETAMIDE N3()--
MDL NumberMFCD00025229
EC Number203-021-5
Beilstein Registry Number13(4)84
Synonym N-(3-Aminophenyl)acetamide {LY} N-(3-Aminophenyl)acetamide {} {LY} N-(3-Aminophenyl)acetamide {} {} {LY} N-(3-Aminophenyl)acetamide {} {} {} {LY} N-(3-Aminophenyl)acetamide {} {} {} {} {LY} N-(3-Aminophenyl)acetamide {} {} {} {} {} {LY} N-(3-Aminophenyl)acetamide {} {} {} {} {} {} {LY} N-(3-Aminophenyl)acetamide {} {} {} {} {} {} {} {LY} N-(3-Aminophenyl)acetamide {} {} {} {} {} {} {} {} {LY} N-(3-Aminophenyl)acetamide {} {} {} {} {} {} {} {} {} {LY} N-(3-Aminophenyl)acetamide {} {} {} {} {} {} {} {} {} {} {LY} N-(3-Aminophenyl)acetamide {} {} {} {} {} {} {} {} {} {} {} {LY} N-(3-Aminophenyl)acetamide {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-(3-Aminophenyl)acetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-(3-Aminophenyl)acetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-(3-Aminophenyl)acetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-(3-Aminophenyl)acetamide {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID7604
Reaxys-RN775952
Chemical Name Translation3-氨基乙酰苯胺
InChIKeyPEMGGJDINLGTON-UHFFFAOYSA-N
Wiswesser Line NotationZR CMV1
LabNetwork Molecule IDLN00129971
InChIInChI=1S/C8H10N2O/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,9H2,1H3,(H,10,11)
Canonical SMILESCC(NC1=CC=CC(N)=C1)=O
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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

相关文献及参考

  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.e
  • Short: III/35D2 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 2: Aromatic Compounds Author: Mikhova, B. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D2 Year: 2005 Keyword: aromatic compounds; carbon-13; chemical shift; coupling constant; molecular structure ISBN: 978-3-540-20189-2 ISBN: 3-540-20189-0 Internet Resource: DOI:10.1007/b83345 RefComment: VIII, 291 p., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. The spectral lines of the nuclei are highly influenced by the chemical environment i.e. the structure and interaction of the molecules. NMR is now the leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data is therefore of major interest to all scientists and engineers who intend to use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei 11B and 31P, subvolume III/35B contains the nuclei 19F and 15N, subvolume III/35C contains the nucleus 1H, subvolume III/35D contains the nucleus 13C, subvolume III/35E contains the nucleus 17O, and subvolume III/35G contains the nucleus 77Se. More nuclei will be presented later.

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
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 Wear suitable protective clothing 穿戴适当的防护服;
  • 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;
  • S37 Wear suitable gloves 戴适当手套;
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置;
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
Precautionary statements
  • 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。
  • 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。
  • 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+P312+P330
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+P313
  • 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
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
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
RTECSAD8050000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 320 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#02899

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 333 ug/plate
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   11(Suppl 12),1,1988

Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 下游产品:活性金黄KM-G --> 活性金黄 K-2RA --> 活性黄3 --> 活性黄KE-RN --> 酸性兰BGL
  • 图谱信息:间氨基乙酰苯胺(102-28-3)质谱(MS) 间氨基乙酰苯胺(102-28-3)红外图谱(IR2) 间氨基乙酰苯胺(102-28-3)红外图谱(IR1)
  • 用途一:主要用作反应染料和分散染料的中间体
  • 间氨基乙酰苯胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A1533 3'-氨基乙酰苯胺 3'-Aminoacetanilide 25G 209元 2014/06/02 A1533 3'-氨基乙酰苯胺 3'-Aminoacetanilide 500G 891元 2010/06/21 344150050 间氨基乙酰苯胺 3'-Aminoacetanilide 98% 5 GR 390元
  • 毒性分级:中毒
  • 急性毒性:静脉-小鼠LD50: 320 毫克/公斤
  • MSDS 信息:N1-(3-Aminophenyl)acetamide(102-28-3).msds
  • 方法一:由间苯二胺酰化而得。向反应锅中加入水及间苯二胺,使溶解。再加入30%盐酸,搅拌半小时,然后加入乙酸,控制反应温度在40℃,保温搅拌1h,加入精盐盐析,过滤。经中和得间氨基乙酰苯胺。酰化操作也可能采用乙酐作为原料。原料消耗定额间苯二胺1021kg/t、乙酐1013kg/t、盐酸475kg/t。
  • Acros Organics:3-氨基乙酰苯胺 3'-Aminoacetanilide, 98%(102-28-3)
  • 用途二:染料中间体。主要用于制备活性黄K-RN及分散染料。
  • 上游原料:乙酸 --> 间苯二胺 --> 3-硝基苯胺 --> 硫化钙
  • MOL 文件:102-28-3.mol
  • 可燃性危险特性:可燃;燃烧产生有毒氮氧化物烟雾
  • 灭火剂:干粉、泡沫、砂土、二氧化碳, 雾状水
  • 刺激数据:眼睛-兔子 500 毫克/24小时 重度
  • 储运特性:库房通风低温干燥
  • TCI Shanghai:3'-氨基乙酰苯胺 3'-Aminoacetanilide,>;98.0%(LC)(T)(102-28-3)
  • Sigma Aldrich:102-28-3(sigmaaldrich)
  • 类别:有毒物品

系列性分类


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