3’-Aminoacetophenone 3-氨基苯乙酮

CAS 99-03-6 MFCD00007796

化学结构图

99-03-6
SMILES: CC(=O)c1cccc(N)c1

化学属性

Mol. FormulaC8H9NO
Mol. Weight135.16
Boiling Point289-290°C at 760 mmHg
Melting Point94-98°C
TSCAT
Density1.215
Flash Point289-291°C
Appearance 从乙醇中得苍黄色片状体,熔点98-99℃,沸点289-290℃,溶于醇,不溶于水。在水蒸气中部分挥发。

别名和识别编码

Chemical Name3’-Aminoacetophenone
CAS Number99-03-6
Alfabeta NameAMINOACETOPHENONE 3-'
MDL NumberMFCD00007796
Synonym 3-Acetylaniline {LY} 3-Acetylaniline {} {LY} 3-Acetylaniline {} {} {LY} 3-Acetylaniline {} {} {} {LY} 3-Acetylaniline {} {} {} {} {LY} 3-Acetylaniline {} {} {} {} {} {LY} 3-Acetylaniline {} {} {} {} {} {} { {} {} {} {} {} {} {LY} 3-Acetylaniline {} {} {} {} {} {} {} {LY} 3-Acetylaniline {} {} {} {} {} {} {} {} {LY} 3-Acetylaniline {} {} {} {} {} {} {} {} {} {LY} 3-Acetylaniline {} {} {} {} {} {} {} {} {} {} {LY} 3-Acetylaniline {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Acetylaniline {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Acetylaniline {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Acetylaniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Acetylaniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Acetylaniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Acetylaniline {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID7417
EC Number202-722-3
Beilstein Registry Number386009
Merck Number413
Reaxys-RN386009
Chemical Name Translation3-氨基苯乙酮
InChIKeyCKQHAYFOPRIUOM-UHFFFAOYSA-N
Wiswesser Line NotationZR CV1
LabNetwork Molecule IDLN00117176
InChIInChI=1S/C8H9NO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,9H2,1H3
Canonical SMILESCC(C1=CC(N)=CC=C1)=O
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分类

  • {SNA} Building Blocks, C7 to C8, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

产品应用

  • 医药中间体。

相关文献及参考

  • Beilstein:14,45

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany2
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSAM5800000
Precautionary statements
  • 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
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P332+P313
  • P337+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
Hazard Codes Xn Xn,Xi
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2048 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CBCCT* "Summary Tables of Biological Tests," National Research Council
   Chemical-Biological Coordination Center.  (National Academy of Science
   Library, 2101 Constitution Ave., NW, Washington, DC 20418)
   Volume(issue)/page/year: 2,55,1950

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1870 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(issue)/page/year: 10,61,1954

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 4340 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(issue)/page/year: 10,61,1954

TYPE OF TEST            : Cytogenetic analysis
ROUTE OF EXPOSURE       : Subcutaneous
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 400 mg/kg
REFERENCE :
   TGANAK Tsitologiya i Genetika.  Cytology and Genetics.  For English
   translation, see CYGEDX. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-    1967-  Volume(issue)/page/year: 2,538,1968

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 10 mg/L
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 5,803,1983

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

  • Alfa Aesar:3'-氨基苯乙酮,97% 3'-Aminoacetophenone, 97%(99-03-6)
  • 毒性分级:中毒
  • TCI Shanghai:3'-氨基苯乙酮 3'-Aminoacetophenone,>;98.0%(GC)(99-03-6)
  • Hazard Note:Irritant
  • 急性毒性:口服-大鼠LD50: 1870毫克/公斤
  • 可燃性危险特性:可燃;燃烧产生有毒氮氧化物烟雾
  • 类别:有毒物品
  • 上游原料:铁粉 --> 工业盐酸 --> 间硝基苯乙酮
  • 方法一:由间硝基苯乙酮用铁粉还原而得,将水加入反应罐,搅拌下加入铁粉,缓缓加入工业盐酸。再分批投入间硝基苯乙酮。加热回流6h。冷却至30℃,加盐酸使反应液呈强酸性。过滤,滤液加氨水至呈弱碱性,析出固体物。甩滤,滤饼为间氨基苯乙酮。收率85%。
  • 图谱信息:间氨基苯乙酮(99-03-6)红外图谱(IR2) 间氨基苯乙酮(99-03-6)红外图谱(IR1) 间氨基苯乙酮(99-03-6)质谱(MS) 间氨基苯乙酮(99-03-6)核磁图( 13 CNMR) 间氨基苯乙酮(99-03-6)核磁图( 1 HNMR) 间氨基苯乙酮(99-03-6)红外图谱(IR3)
  • Acros Organics:3'-氨基苯乙酮 3'-Aminoacetophenone, 97%(99-03-6)
  • MOL 文件:99-03-6.mol
  • 用途二:医药中间体。
  • Sigma Aldrich:99-03-6(sigmaaldrich)
  • 海关编码:29223900
  • 储运特性:库房通风低温干燥
  • TSCA:T
  • MSDS 信息:m-Aminoacetophenone(99-03-6).msds
  • 用途一:用于合成苯肾上腺素药物、催眠药扎来普隆等,又可作为有机合成原料
  • 下游产品:3-乙酰胺基苯乙酮 --> 3-羟基苯乙酮 --> 二甲氨基苯乙酮
  • 从乙醇中得苍黄色片状体,溶于醇,不溶于水。在水蒸气中部分挥发。
  • 刺激数据:皮肤-兔子500 毫克/24小时 轻度
  • 灭火剂:干粉、泡沫、砂土、二氧化碳, 雾状水
  • 间氨基苯乙酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 L0210101 3-氨基苯乙酮97% 50g 195元 2011/04/16 A0249 3'-氨基苯乙酮 3'-Aminoacetophenone 25G 189元 2011/04/16 A0249 3'-氨基苯乙酮 3'-Aminoacetophenone 500G 1270元

系列性分类


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