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| CAS No.: | 39835-11-5 |
|---|---|
| Name: | 2-HYDROXY-5-METHOXYBENZONITRILE |
| Article Data: | 24 |
| Molecular Structure: | |
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| Formula: | C8H7NO2 |
| Molecular Weight: | 149.149 |
| Synonyms: | 2-Hydroxy-4-methoxybenzonitrile; |
| Density: | 1.24 g/cm3 |
| Melting Point: | 151 °C |
| Boiling Point: | 330.4 °C at 760 mmHg |
| Flash Point: | 153.6 °C |
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 53.25000 |
| LogP: | 1.27248 |
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- Total:28 Page 1 of 1 1
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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