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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 | 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 |
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