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Benzeneacetonitrile, a-methyl-3-phenoxy-

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Name

Benzeneacetonitrile, a-methyl-3-phenoxy-

EINECS 251-260-9
CAS No. 32852-95-2 Density 1.097 g/cm3
PSA 33.02000 LogP 4.10598
Solubility N/A Melting Point N/A
Formula C15H13NO Boiling Point 350.7 °C at 760 mmHg
Molecular Weight 223.274 Flash Point 148 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 32852-95-2 (2-(3-phenoxyphenyl)propiononitrile) Hazard Symbols N/A
Synonyms

Hydratroponitrile,m-phenoxy- (8CI);2-(3-Phenoxyphenyl)propionitrile;2-(3-phenoxyphenyl)propanenitrile;

Article Data 6

Benzeneacetonitrile, a-methyl-3-phenoxy- 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

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