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32852-95-2

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Basic Information
CAS No.: 32852-95-2
Name: 2-(3-phenoxyphenyl)propiononitrile
Article Data: 6
Molecular Structure:
Molecular Structure of 32852-95-2 (2-(3-phenoxyphenyl)propiononitrile)
Formula: C15H13NO
Molecular Weight: 223.274
Synonyms: Hydratroponitrile,m-phenoxy- (8CI);2-(3-Phenoxyphenyl)propionitrile;2-(3-phenoxyphenyl)propanenitrile;
EINECS: 251-260-9
Density: 1.097 g/cm3
Boiling Point: 350.7 °C at 760 mmHg
Flash Point: 148 °C
PSA: 33.02000
LogP: 4.10598
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Specification

The Benzeneacetonitrile, a-methyl-3-phenoxy-, with the CAS registry number 32852-95-2 and EINECS registry number 251-260-9, has the systematic name of 2-(3-phenoxyphenyl)propanenitrile. And the molecular formula of this chemical is C15H13NO. In addition, it should be stored in the dry and cool environment.

The physical properties of Benzeneacetonitrile, a-methyl-3-phenoxy- are as following: (1)ACD/LogP: 3.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.79; (4)ACD/LogD (pH 7.4): 3.79; (5)ACD/BCF (pH 5.5): 445.61; (6)ACD/BCF (pH 7.4): 445.61; (7)ACD/KOC (pH 5.5): 2739.82; (8)ACD/KOC (pH 7.4): 2739.82; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 33.02 Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 66.79 cm3; (15)Molar Volume: 203.4 cm3; (16)Polarizability: 26.47×10-24cm3; (17)Surface Tension: 43.2 dyne/cm; (18)Density: 1.097 g/cm3; (19)Flash Point: 148 °C; (20)Enthalpy of Vaporization: 59.53 kJ/mol; (21)Boiling Point: 350.7 °C at 760 mmHg; (22)Vapour Pressure: 4.31E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CC(c2cc(Oc1ccccc1)ccc2)C
(2)InChI: InChI=1/C15H13NO/c1-12(11-16)13-6-5-9-15(10-13)17-14-7-3-2-4-8-14/h2-10,12H,1H3
(3)InChIKey: JSCONFOVXYGOST-UHFFFAOYAL