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Benzenepropanenitrile, β-hydroxy-

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Name

Benzenepropanenitrile, β-hydroxy-

EINECS N/A
CAS No. 17190-29-3 Density 1.129 g/cm3
PSA 44.02000 LogP 1.63368
Solubility N/A Melting Point 110 °C
Formula C9H9NO Boiling Point 343.302 °C at 760 mmHg
Molecular Weight 147.177 Flash Point 161.423 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 17190-29-3 (3-HYDROXY-3-PHENYL-PROPIONITRILE) Hazard Symbols N/A
Synonyms

3-Hydroxy-3-phenylpropionitrile;3-Hydroxy-3-phenylpropanenitrile;Hydracrylonitrile,3-phenyl- (6CI,7CI,8CI);b-Hydroxy-benzenepropanenitrile;

Article Data 116

Benzenepropanenitrile, β-hydroxy- Specification

The Benzenepropanenitrile, β-hydroxy- is an organic compound with the formula C9H9NO. The IUPAC name of this chemical is 3-Hydroxy-3-phenylpropanenitrile. With the CAS registry number 17190-29-3, it is also named as Hydracrylonitrile, 3-phenyl-. The product's categories are C8 to C9; Cyanides/Nitriles; Nitrogen Compounds. Besides, it should be stored in a cool, sealed, dry place.

Physical properties about Benzenepropanenitrile, β-hydroxy- are: (1)ACD/LogP: 0.70; (2)ACD/LogD (pH 5.5): 0.702; (3)ACD/LogD (pH 7.4): 0.702; (4)ACD/BCF (pH 5.5): 2.012; (5)ACD/BCF (pH 7.4): 2.012; (6)ACD/KOC (pH 5.5): 57.399; (7)ACD/KOC (pH 7.4): 57.398; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 44.02 Å2; (12)Index of Refraction: 1.556; (13)Molar Refractivity: 41.886 cm3; (14)Molar Volume: 130.395 cm3; (15)Polarizability: 16.605×10-24 cm3; (16)Surface Tension: 50.349 dyne/cm; (17)Density: 1.129 g/cm3; (18)Flash Point: 161.423 °C; (19)Enthalpy of Vaporization: 61.967 kJ/mol; (20)Boiling Point: 343.302 °C at 760 mmHg. 

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C9H9NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6H2
(2)InChIKey: HILDHWAXSORHRZ-UHFFFAOYAG
(3)Std. InChI: InChI=1S/C9H9NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6H2
(4)Std. InChIKey: HILDHWAXSORHRZ-UHFFFAOYSA-N

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