4-Hydroxy-2,3-dimethyl-benzonitrile supplier

Name
Benzonitrile, 4-hydroxy-2,3-dimethyl- (9CI)
EINECS
CAS No. 448961-58-8
Article Data2
CAS DataBase
Density 1.137 g/cm³
Solubility
Melting Point
Formula C₉H₉NO
Boiling Point 318.843 °C at 760 mmHg
Molecular Weight 147.17
Flash Point 146.631 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzonitrile, 4-hydroxy-2,3-dimethyl- (9CI);
PSA 44.02000
LogP 1.88068

4-Hydroxy-2,3-dimethyl-benzonitrile Specification

The 4-Hydroxy-2,3-dimethyl-benzonitrile, with the CAS registry number 448961-58-8, is also known as Benzonitrile, 4-hydroxy-2,3-dimethyl-. It belongs to the product category of Alcohol. This chemical's molecular formula is C₉H₉NO and molecular weight is 147.17. What's more, its systematic name is 4-Hydroxy-2,3-dimethyl-benzonitrile.

Physical properties of 4-Hydroxy-2,3-dimethyl-benzonitrile are: (1)ACD/LogP: 2.432; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.43; (4)ACD/LogD (pH 7.4): 2.38; (5)ACD/BCF (pH 5.5): 41.49; (6)ACD/BCF (pH 7.4): 37.04; (7)ACD/KOC (pH 5.5): 500.70; (8)ACD/KOC (pH 7.4): 446.92; (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: 1.563; (14)Molar Refractivity: 42.095 cm³; (15)Molar Volume: 129.428 cm³; (16)Polarizability: 16.688×10^-24cm³; (17)Surface Tension: 50.4 dyne/cm; (18)Density: 1.137 g/cm³; (19)Flash Point: 146.631 °C; (20)Enthalpy of Vaporization: 58.268 kJ/mol; (21)Boiling Point: 318.843 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(ccc(O)c1C)C#N
(2)Std. InChI: InChI=1S/C9H9NO/c1-6-7(2)9(11)4-3-8(6)5-10/h3-4,11H,1-2H3
(3)Std. InChIKey: LUOBVTFFWKJVTN-UHFFFAOYSA-N

Product Name

Benzonitrile, 4-hydroxy-2,3-dimethyl- (9CI)

4-Hydroxy-2,3-dimethyl-benzonitrile Specification

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