Benzonitrile,3-hydroxy-4-methyl- supplier

Name
Benzonitrile, 3-hydroxy-4-methyl-
EINECS
CAS No. 3816-66-8
Article Data6
CAS DataBase
Density 1.174 g/cm³
Solubility
Melting Point 125℃
Formula C₈H₇NO
Boiling Point 276.856 °C at 760mmHg
Molecular Weight 133.15
Flash Point 121.238 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,4-Cresotonitrile(6CI,7CI,8CI);3-Hydroxy-4-methylbenzonitrile;4-Cyano-2-hydroxytoluene;
PSA 44.02000
LogP 1.57228

Benzonitrile,3-hydroxy-4-methyl- Specification

The Benzonitrile,3-hydroxy-4-methyl- is an organic compound with the molecular formula C₈H₇NO. Its CAS registry number is 3816-66-8. The IUPAC name of this chemical is called 3-Hydroxy-4-methylbenzonitrile. What's more, the molecular weight of this chemical is 133.1473.

Physical properties about Benzonitrile,3-hydroxy-4-methyl- are: (1)ACD/LogP: 2.37; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 37; (6)ACD/BCF (pH 7.4): 36; (7)ACD/KOC (pH 5.5): 462; (8)ACD/KOC (pH 7.4): 449; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.02 Å²; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 37.472 cm³; (15)Molar Volume: 113.37 cm³; (16)Polarizability: 14.855×10^-24 cm³; (17)Surface Tension: 53.435 dyne/cm; (18)Density: 1.174 g/cm³; (19)Flash Point: 121.238 °C; (20)Enthalpy of Vaporization: 53.611 kJ/mol; (21)Boiling Point: 276.856 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1ccc(cc1O)C#N
(2) InChI: InChI=1/C8H7NO/c1-6-2-3-7(5-9)4-8(6)10/h2-4,10H,1H3
(3) InChIKey: UXNPMDKLHYMKBZ-UHFFFAOYAP

Product Name

Benzonitrile, 3-hydroxy-4-methyl-

Benzonitrile,3-hydroxy-4-methyl- Specification

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