Benzonitrile,4-(2-oxoacetyl)- supplier

Name
4-(2-OXOACETYL)BENZONITRILE
EINECS
CAS No. 20099-53-0
Article Data13
CAS DataBase
Density 1.251 g/cm³
Solubility
Melting Point
Formula C₉H₅NO₂
Boiling Point 305.114 °C at 760 mmHg
Molecular Weight 159.144
Flash Point 138.328 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzonitrile,4-(oxoacetyl)- (9CI);Benzonitrile, p-glyoxyloyl- (8CI);4-Cyanophenylglyoxal;
PSA 57.93000
LogP 0.93988

Benzonitrile,4-(2-oxoacetyl)- Specification

The CAS register number of Benzonitrile,4-(2-oxoacetyl)- is 20099-53-0. It also can be called as 4-Cyanophenylglyoxal and the systematic name about this chemical is 4-(oxoacetyl)benzonitrile. The molecular formula about this chemical is C₉H₅NO₂ and the molecular weight is 159.14.

Physical properties about Benzonitrile,4-(2-oxoacetyl)- are: (1)ACD/LogP: 0.82; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 2; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 51; (7)ACD/KOC (pH 7.4): 51; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 57.93 Å²; (11)Index of Refraction: 1.558; (12)Molar Refractivity: 41.036 cm³; (13)Molar Volume: 127.202 cm³; (14)Polarizability: 16.268x10^-24cm³; (15)Surface Tension: 54.393 dyne/cm; (16)Flash Point: 138.328 °C; (17)Enthalpy of Vaporization: 54.553 kJ/mol; (18)Boiling Point: 305.114 °C at 760 mmHg; (19)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc(cc1)C(=O)C=O
(2)InChI: InChI=1/C9H5NO2/c10-5-7-1-3-8(4-2-7)9(12)6-11/h1-4,6H
(3)InChIKey: YFRPJYGYHJNAKA-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C9H5NO2/c10-5-7-1-3-8(4-2-7)9(12)6-11/h1-4,6H
(5)Std. InChIKey: YFRPJYGYHJNAKA-UHFFFAOYSA-N

Product Name

4-(2-OXOACETYL)BENZONITRILE

Benzonitrile,4-(2-oxoacetyl)- Specification

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