4-Chloroacetanilide 对氯乙酰苯胺

CAS 539-03-7 MFCD00000612

化学结构图

539-03-7
SMILES:

化学属性

Mol. FormulaC8H8ClNO
Mol. Weight169.61
Density1.385
TSCAYes
Boiling Point333 °C at 760 mmHg
Melting Point176-178 °C
Flash Point333°C
Solubilitydioxane: 50 mg/mL hot, clear

别名和识别编码

Chemical Name4-Chloroacetanilide
CAS Number539-03-7
Synonym N-(4-Chlorophenyl)acetamide {LY} N-(4-Chlorophenyl)acetamide {} {LY} N-(4-Chlorophenyl)acetamide {} {} {LY} N-(4-Chlorophenyl)acetamide {} {} {} {LY} N-(4-Chlorophenyl)acetamide {} {} {} {} {LY} N-(4-Chlorophenyl)acetamide {} {} {} {} {} {LY} N-(4-Chlorophenyl)acetamide {} {} {} {} {} {} {LY} N-(4-Chlorophenyl)acetamide {} {} {} {} {} {} {} {LY} N-(4-Chlorophenyl)acetamide {} {} {} {} {} {} {} {} {LY} N-(4-Chlorophenyl)acetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-(4-Chlorophenyl)acetamide {} {} {} {} {} {} {} {} {} {} {LY} N-(4-Chlorophenyl)acetamide {} {} {} {} {} {} {} {} {} {} {} {LY} N-(4-Chlorophenyl)acetamide {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-(4-Chlorophenyl)acetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-(4-Chlorophenyl)acetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-(4-Chlorophenyl)acetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-(4-Chlorophenyl)ace
MDL NumberMFCD00000612
EC Number208-707-8
Merck Number2111
Beilstein Registry Number12,611
PubChem Substance ID87565275
Reaxys-RN509638
Chemical Name Translation对氯乙酰苯胺
Wiswesser Line NotationGR DMV1
LabNetwork Molecule IDLN00194048
Canonical SMILESCC(NC1=CC=C(C=C1)Cl)=O
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分类

  • {SNA} Acetaminophen Impurities, Additional Standards, Analytical Standards, Chromatography, Paracetamol (Acetaminophen) Impurities, Pharmaceutical Impurities, Pharmaceutical Secondary Standards, Pharmaceutical Standards, Pharmacopeia Metrological Institutes Standards, Secondary Standards, 分析/色谱
  • {SNA} Analytical Standards, Chromatography, Paracetamol (Acetaminophen) Impurities, Pharmaceutical Impurities, Pharmaceutical Secondary Standards, Pharmaceutical Standards, 分析/色谱
  • {SNA} Building Blocks, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks, Protected Amines
  • {SNA} Acetaminophen Impurities, Additional Standards,

相关文献及参考

  • Merck:14,2111 Beilstein:12,611
  • Short: III/35D2
  • Short: III/20b
  • Merck:14,2111
  • Short: III/35B

安全信息

RTECSAE1001000
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；
  • 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
GHS Symbol
WGK Germany3
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
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
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。
  • 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
  • P305+P351+P338+P337+P313
  • P302+P352+P332+P313+P362+P364
Signal word
Hazard Codes Xi 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 730 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   49RQAC "Chemistry and Biology of Hydroxamic Acids, Proceedings of the
   International Symposium, 1st, Dayton, OH, 1981," Kehl, H., ed., Basel,
   Switzerland, S. Karger AG, 1982  Volume(issue)/page/year: 1,140,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 245 mg/kg
TOXIC EFFECTS :
   Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
   JAPMA8 Journal of the American Pharmaceutical Association, Scientific
   Edition.  (Washington, DC) V.29-49, 1940-60.  For publisher information, see
   JPMSAE.  Volume(issue)/page/year: 48,204,1959

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 2500 ug/plate
REFERENCE :
   PCBPBS Pesticide Biochemistry and Physiology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802)  V.1-    1971-  Volume(issue)/page/year:
   10,174,1979

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 用途一:用作有机合成及染料中间体
  • Sigma Aldrich:539-03-7(sigmaaldrich)
  • 类别:农药
  • 毒性分级:中毒
  • TCI Shanghai:4-氯乙酰苯胺 4'-Chloroacetanilide,>;98.0%(T)(539-03-7)
  • 可燃性危险特性:热分解排出有毒氮氧化物, 氯化物烟雾
  • MOL 文件:539-03-7.mol
  • 外观性质:白色至褐色结晶,实际上不溶于水，溶于乙醇、乙醚和二硫化碳；微溶于CCl4和苯。熔点:177-181 °C 沸点:333 °C
  • 对氯乙酰苯胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 K2281001 4-氯乙酰苯胺 50g 1296元 2011/04/16 C0089 4'-氯乙酰苯胺 4'-Chloroacetanilide 25G 332元 2011/04/16 C0089 4'-氯乙酰苯胺 4'-Chloroacetanilide 500G 2030元
  • 实际上不溶于水，溶于乙醇、乙醚和二硫化碳；微溶于CCl4和苯。
  • 灭火剂:水,二氧化碳, 泡沫, 干粉
  • Alfa Aesar:N-(4-氯苯基)乙酰胺,98+% 4'-Chloroacetanilide, 98+%(539-03-7)
  • 急性毒性:腹腔-大鼠 LD50: 350 毫克/公斤; 腹腔-小鼠 LD50: 730 毫克/公斤
  • 储运特性:库房低温通风干燥
  • Acros Organics:对氯乙酰苯胺 4'-Chloroacetanilide, 97%(539-03-7)
  • 图谱信息:对氯乙酰苯胺(539-03-7)红外图谱(IR1) 对氯乙酰苯胺(539-03-7)核磁图( 1 HNMR) 对氯乙酰苯胺(539-03-7)红外图谱(IR2) 对氯乙酰苯胺(539-03-7)质谱(MS)

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. Amides - 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. Nitrogen Compounds 氮化合物
  5. Protected Amines - Nitrogen Compounds
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Pharmaceutical Standards - Chromatography
  5. Pharmaceutical Secondary Standards - Pharmaceutical Standards
  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