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Benzonitrile, 2-hydroxy-4-methoxy-

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Name

Benzonitrile, 2-hydroxy-4-methoxy-

EINECS N/A
CAS No. 39835-11-5 Density 1.24 g/cm3
PSA 53.25000 LogP 1.27248
Solubility N/A Melting Point 151 °C
Formula C8H7NO2 Boiling Point 330.4 °C at 760 mmHg
Molecular Weight 149.149 Flash Point 153.6 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 39835-11-5 (2-HYDROXY-5-METHOXYBENZONITRILE) Hazard Symbols N/A
Synonyms

2-Hydroxy-4-methoxybenzonitrile;

Article Data 24

Benzonitrile, 2-hydroxy-4-methoxy- Specification

The CAS registry number of Benzonitrile, 2-hydroxy-4-methoxy- is 39835-11-5. This chemical's molecular formula is C8H7NO2 and molecular weight is 149.15. What's more, its systematic name is called 2-Hydroxy-4-methoxybenzonitrile.

Physical properties about Benzonitrile, 2-hydroxy-4-methoxy- are: (1)ACD/LogP: 1.94; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.92; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 16.8; (6)ACD/BCF (pH 7.4): 3.48; (7)ACD/KOC (pH 5.5): 258.49; (8)ACD/KOC (pH 7.4): 53.63; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.25 Å2; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 39.21 cm3; (15)Molar Volume: 119.7 cm3; (16)Polarizability: 15.54×10-24 cm3; (17)Surface Tension: 55.4 dyne/cm; (18)Density: 1.24 g/cm3; (19)Flash Point: 153.6 °C; (20)Enthalpy of Vaporization: 59.57 kJ/mol; (21)Boiling Point: 330.4 °C at 760 mmHg; (22)Vapour Pressure: 8.69E-05 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is harmful by inhalation, in contact with skin and if swallowed. It is also irritating to eyes, respiratory system and skin. In addition, in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You also should wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1ccc(OC)cc1O
(2) InChI: InChI=1/C8H7NO2/c1-11-7-3-2-6(5-9)8(10)4-7/h2-4,10H,1H3
(3) InChIKey: FDRYADKKCJHYJU-UHFFFAOYAC

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