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1. Introduction of Benzoyl cyanide
The Benzoyl cyanide, with its CAS NO 613-90-1, is a kind of white crystal. It has synonyms of Glyoxylonitrile,phenyl- (6CI,7CI,8CI);2-(Oxo)-2-(phenyl)acetonitrile;Benzoyl cyanide;Benzoylnitrile;NSC 120506;NSC 401920;Phenyl glyoxonitrile;Phenylglyoxalic acidnitrile;Phenylglyoxylonitrile a-Oxobenzeneacetonitrile.
2. Properties of Benzoyl cyanide
(1) ACD/LogP: 1.401 (2) ACD/LogD (pH 5.5): 1.40 (3) ACD/LogD (pH 7.4): 1.40
(4) ACD/BCF (pH 5.5): 6.84 (5) ACD/BCF (pH 7.4): 6.84
(6) ACD/KOC (pH 5.5): 137.85 (7) ACD/KOC (pH 7.4): 137.85
(8) #H bond acceptors: 2 (9) #Freely Rotating Bonds: 1 (10) Polar Surface Area: 40.86 2
(11) Index of Refraction: 1.546 (12) Molar Refractivity: 36.194 cm3
(13) Molar Volume: 114.347 cm3 (14) Polarizability: 14.349 10-24cm3
(15) Surface Tension: 47.8559989929199 dyne/cm (16) Density: 1.147 g/cm3
(17) Flash Point: 78.386 °C (18) Enthalpy of Vaporization: 44.224 kJ/mol
(19) Boiling Point: 206 °C at 760 mmHg (20) Vapour Pressure: 0.243000000715256 mmHg at 25°C
3. Structure descriptors of Benzoyl cyanide
IUPAC Name: benzoyl cyanide
InChI: InChI=1S/C8H5NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H
InChIKey: GJQBHOAJJGIPRH-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C(C=C1)C(=O)C#N
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