24706-50-1

Name 3-ANILINOCYCLOHEX-2-EN-1-ONE
CAS 24706-50-1
Molecular Formula C12H13NO
MDL Number MFCD00082654
Molecular Weight 187.24
MOL File 24706-50-1.mol
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Chemical Properties

Appearance yellow-green fine crystalline powder
Melting point  178-182 °C
Boiling point  324.9±42.0 °C(Predicted)
density  1.176±0.06 g/cm3(Predicted)
form  solid
pka 0.38±0.20(Predicted)
BRN  2103381
InChI 1S/C12H13NO/c14-12-8-4-7-11(9-12)13-10-5-2-1-3-6-10/h1-3,5-6,9,13H,4,7-8H2
InChIKey IVONJXTZXFTWNA-UHFFFAOYSA-N
SMILES O=C1C=C(CCC1)NC2=CC=CC=C2
CAS DataBase Reference 24706-50-1(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S24/25:Avoid contact with skin and eyes .
WGK Germany  WGK 3
RTECS  GW7600000
Hazard Note  Irritant
HS Code  29214200
Storage Class 11 - Combustible Solids
Toxicity
mouse,LDLo,intraperitoneal,600mg/kg (600mg/kg),Japanese Kokai Tokyo Koho Patents. Vol. #92-282314,

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