Benzonitrile,2-hydroxy-3-methoxy- supplier

Name
2-HYDROXY-3-METHOXYBENZONITRILE
EINECS
CAS No. 6812-16-4
Article Data13
CAS DataBase
Density 1.245 g/cm³
Solubility
Melting Point
Formula C₈H₇NO₂
Boiling Point 268.209 °C at 760 mmHg
Molecular Weight 149.149
Flash Point 116.009 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms m-Anisonitrile,2-hydroxy- (8CI);2-Cyano-6-methoxyphenol;2-Hydroxy-3-methoxybenzonitrile;3-Methoxysalicylonitrile;o-Vanillonitrile;
PSA 53.25000
LogP 1.27248

Benzonitrile,2-hydroxy-3-methoxy- Specification

The Benzonitrile,2-hydroxy-3-methoxy-, with the CAS registry number 6812-16-4, is also known as 2-Cyano-6-methoxyphenol. This chemical's molecular formula is C₈H₇NO₂ and formula weight is 149.15. What's more, its IUPAC name is 2-hydroxy-3-methoxybenzonitrile.

Physical properties of Benzonitrile,2-hydroxy-3-methoxy- are: (1)ACD/LogP: 1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/BCF (pH 5.5): 5; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 107; (7)ACD/KOC (pH 7.4): 40; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 53.25 Å²; (12)Index of Refraction: 1.569; (13)Molar Refractivity: 39.214 cm³; (14)Molar Volume: 119.759 cm³; (15)Surface Tension: 55.489 dyne/cm; (16)Density: 1.245 g/cm³; (17)Flash Point: 116.009 °C; (18)Enthalpy of Vaporization: 52.667 kJ/mol; (19)Boiling Point: 268.209 °C at 760 mmHg; (20)Vapour Pressure: 0.005 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC=CC(=C1O)C#N
(2)InChI: InChI=1S/C8H7NO2/c1-11-7-4-2-3-6(5-9)8(7)10/h2-4,10H,1H3
(3)InChIKey: NILKMGHUFOHVMU-UHFFFAOYSA-N

Product Name

2-HYDROXY-3-METHOXYBENZONITRILE

Benzonitrile,2-hydroxy-3-methoxy- Specification

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