Benzonitrile,4-(3-hydroxypropyl)- supplier

Name
4-(3-HYDROXY-PROPYL)-BENZONITRILE
EINECS
CAS No. 83101-12-6
Article Data15
CAS DataBase
Density 1.098 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₁NO
Boiling Point 323.691 °C at 760 mmHg
Molecular Weight 161.203
Flash Point 149.563 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(4-Cyanophenyl)-1-propanol;4-(3-Hydroxypropyl)benzonitrile;
PSA 44.02000
LogP 1.48318

Benzonitrile,4-(3-hydroxypropyl)- Specification

The Benzonitrile,4-(3-hydroxypropyl)- is an organic compound with the molecular formula C₁₀H₁₁NO. Its CAS registry number is 83101-12-6. The IUPAC name of this chemical is called 4-(3-Hydroxypropyl)benzonitrile. What's more, the molecular weight of this chemical is 161.20044.

Physical properties about Benzonitrile,4-(3-hydroxypropyl)- are: (1)ACD/LogP: 1.43; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 124; (8)ACD/KOC (pH 7.4): 124; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.02 Å²; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 46.742 cm³; (15)Molar Volume: 146.814 cm³; (16)Polarizability: 18.53×10^-24 cm³; (17)Surface Tension: 49.016 dyne/cm; (18)Density: 1.098 g/cm³; (19)Flash Point: 149.563 °C; (20)Enthalpy of Vaporization: 59.713 kJ/mol; (21)Boiling Point: 323.691 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1ccc(CCCO)cc1
(2) InChI: InChI=1/C10H11NO/c11-8-10-5-3-9(4-6-10)2-1-7-12/h3-6,12H,1-2,7H2
(3) InChIKey: DLSYBKFKTWXZMU-UHFFFAOYAS

Product Name

4-(3-HYDROXY-PROPYL)-BENZONITRILE

Benzonitrile,4-(3-hydroxypropyl)- Specification

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