2-Chloro-N-phenylacetamide 2-氯乙酰苯胺

CAS 587-65-5 MFCD00018887

化学结构图

587-65-5
SMILES: O=C(CCl)NC1C=CC=CC=1

化学属性

Mol. FormulaC8H8ClNO
Mol. Weight169.61
Melting Point136-139 °C
Solubility难溶
Boiling Point340.0±25.0 °C at 760 mmHg

别名和识别编码

Chemical Name2-Chloro-N-phenylacetamide
CAS Number587-65-5
Alfabeta NameCHLOROPHENYLACETAMIDE N2---
MDL NumberMFCD00018887
EC Number209-604-0
Synonym 2-Chloro-N-phenylacetamide {LY} 2-Chloro-N-phenylacetamide {} {LY} 2-Chloro-N-phenylacetamide {} {} {LY} 2-Chloro-N-phenylacetamide {} {} {} {LY} 2-Chloro-N-phenylacetamide {} {} {} {} {LY} 2-Chloro-N-phenylacetamide {} {} {} {} {} {LY} 2-Chloro-N-phenylacetamide {} {} {} {} {} {} {LY} 2-Chloro-N-phenylacetamide {} {} {} {} {} {} {} {LY} 2-Chloro-N-phenylacetamide {} {} {} {} {} {} {} {} {LY} 2-Chloro-N-phenylacetamide {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-N-phenylacetamide {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-N-phenylacetamide {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-N-phenylacetamide {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-N-phenylacetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-N-phenylacetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-N-phenylacetamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Chloro-N-phenylacetamide {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID24877860
Chemical Name Translation2-氯乙酰苯胺
Wiswesser Line NotationG1VMR
Beilstein Registry Number0509684
LabNetwork Molecule IDLN00133723
Canonical SMILESO=C(NC1=CC=CC=C1)CCl
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分类

  • {SNA} Amides, Building Blocks, C8 to C20+, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks
  • {KO} ReacChlorides

安全信息

Warnings IRRITANT
Hazard Codes Xi
Safety Statements
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护;
  • 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;
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
WGK Germany3
GHS Symbol
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。
  • P305+P351+P338
Signal word Warning
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
RTECSAE1000000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 900 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
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            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 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#00010

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 810 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

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

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
1
Rotatable Bonds
2
H-bond Donors
1
LogP
1

系列性分类


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