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3-Benzoylacrylic Acid

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3-Benzoylacrylic Acid / CAS : 583-06-2

Appearance Pale yellow flake crystal. UN 2811
HS 29183000 DG Class 6.1
Synonyms Benzoylacrylic Acid; 2-Butenoic Acid, 4-Oxo-4-Phenyl-; 4-Oxo-4-Phenyl-2-Butenoic Acid; 4-Oxo-4-Phenyl-But-2-Enoic Acid; 2-Butenoic Acid,4-Oxo-4-Phenyl; Acrylic Acid,3-Benzoyl; Crotonic Acid,4-Oxo-4-Phenyl; (2E)-4-Oxo-4-Phenyl-2-Butenoic Acid; 4-Oxo-4-Phenyl-2-Butenoicaci; 4-Phenyl-4-Oxo-2-Butenoicacid; Acrylic Acid, 3-Benzoyl-; Beta-Benzoylacrylsaeure; Crotonic Acid, 4-Oxo-4-Phenyl-; Benzoyl Acrylic Acid
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Properties

Summary

Formula
C10H8O3
Molecular Mass
176.16900
Exact Mass
176.04700
PSA
54.37000
Logp
1.51010
IUPAC
(E)-4-oxo-4-phenylbut-2-enoic acid
SMILES
C1=CC=C(C=C1)C(=O)/C=C/C(=O)O

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates

Chemical and Physical Properties

Melting Point
94-97ºC
Density
1.238 g/cm3
Boiling Point
333.9ºC
Flash Point
170ºC
Appearance
Pale yellow flake crystal.

Export information

HS Code
29183000
Export Rebate
13%
UN No.
2811
DG-Class
6.1
Risk Code
R36/37/38
Safety Label
Xi

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