Basic information
- Name:
Benzonitrile,2-hydroxy-
- Superlist Name:
- 2-Cyanophenol
- CAS No.:
611-20-1
- Molecular Structure:
- Formula:
- C7H5NO
- Molecular Weight:
- 119.12
- Synonyms:
- Salicylonitrile(6CI,7CI,8CI);2-Hydroxybenzonitrile;NSC 53558;Salicylnitrile;o-Cyanophenol;o-Hydroxybenzonitrile;
- EINECS:
- 210-259-3
- Density:
- 1.22 g/cm3
- Melting Point:
- 92-95 °C(lit.)
- Boiling Point:
- 273.1 °C at 760 mmHg
- Flash Point:
- 109.6 °C
- Solubility:
- soluble in water
- Appearance:
- white to light yellow crystal powder
- Hazard Symbols:
Xn, 
Xi- Risk Codes:
- 22-36/37/38-20/21/22
- Safety Description:
- 26-36-45 Details
- Transport Information:
- UN 3276
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Specification
The 2-Cyanophenol, with the CAS registry number 611-20-1, is also known as Salicylonitrile. It belongs to the product categories of Aromatic Nitriles; Miscellaneous. Its EINECS registry number is 210-259-3. This chemical's molecular formula is C7H5NO and molecular weight is 119.12. What's more, its IUPAC name is called 2-Hydroxybenzonitrile. It should be stored in a cool, dry and well-ventilated place.
Physical properties about 2-Cyanophenol are: (1)ACD/LogP: 1.026; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.02; (4)ACD/LogD (pH 7.4): 0.60; (5)ACD/BCF (pH 5.5): 3.47; (6)ACD/BCF (pH 7.4): 1.32; (7)ACD/KOC (pH 5.5): 84.32; (8)ACD/KOC (pH 7.4): 31.98; (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: 1.591; (14)Molar Refractivity: 32.849 cm3; (15)Molar Volume: 97.264 cm3; (16)Surface Tension: 57.85 dyne/cm; (17)Density: 1.225 g/cm3; (18)Flash Point: 109.584 °C; (19)Enthalpy of Vaporization: 53.202 kJ/mol; (20)Boiling Point: 273.109 °C at 760 mmHg; (21)Vapour Pressure: 0.0030 mmHg at 25 °C.
Preparation of 2-Cyanophenol: this chemical can be prepared by Salicylaldehyde-(E)-oxime. This reaction needs reagent 2,4,6-trichloro[1,3,5]triazine and solvent dimethylformamide at temperature of 20 °C. The reaction time is 4 hours. The yield is 100 %.
Uses of 2-Cyanophenol: (1) it is used as bunitrolol intermediates; (2) it is used to produce other chemicals. For example, it can react with ethanol to get salicylimidic acid ethyl ester; hydrochloride. The reaction occurs with reagent HCl and solvent benzene at temperature of 20 °C. The reaction time is 15 days. The yield is 37 %.
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. It is harmful by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1ccccc1O
(2) InChI: InChI=1S/C7H5NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H
(3) InChIKey: CHZCERSEMVWNHL-UHFFFAOYSA-N
