49744-93-6

Name 3-(4-CYANO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER
CAS 49744-93-6
Molecular Formula C12H11NO3
MDL Number MFCD00029621
Molecular Weight 217.22
MOL File 49744-93-6.mol
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Chemical Properties

Melting point  65.0 to 69.0 °C
Boiling point  140°C/0.1mmHg(lit.)
density  1.19±0.1 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
form  powder to crystal
pka 8.88±0.25(Predicted)
color  Light yellow to Yellow to Orange
InChI InChI=1S/C12H11NO3/c1-2-16-12(15)7-11(14)10-5-3-9(8-13)4-6-10/h3-6H,2,7H2,1H3
InChIKey ITKQVWKZLCNILF-UHFFFAOYSA-N
SMILES C1(C=CC(C#N)=CC=1)C(=O)CC(=O)OCC
CAS DataBase Reference 49744-93-6

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302+H312+H332-H315-H319
Precautionary statements  P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
HS Code  2926.90.4801

Spectrum Detail

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