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3-Chloro-4-hydroxybenzonitrile

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Name

3-Chloro-4-hydroxybenzonitrile

EINECS N/A
CAS No. 2315-81-3 Density 1.415 g/cm3
PSA 44.02000 LogP 1.91728
Solubility N/A Melting Point 150 °C
Formula C7H4ClNO Boiling Point 265.9 °C at 760 mmHg
Molecular Weight 153.568 Flash Point 114.6 °C
Transport Information UN 3276 Appearance white solid
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 2315-81-3 (3-Chloro-4-hydroxybenzonitrile) Hazard Symbols IrritantXi
Synonyms

2-Chloro-4-cyanophenol;4-Cyano-2-chlorophenol;

Article Data 6

3-Chloro-4-hydroxybenzonitrile Specification

The Benzonitrile,3-chloro-4-hydroxy-, with the CAS registry number 2315-81-3, is also known as ZINC02380632. It belongs to the product categories of Aromatic Nitriles; Phenyls & Phenyl-Het; Chlorine Compounds; Nitriles; Phenols; Phenyls & Phenyl-Het. This chemical's molecular formula is C7H4ClNO and molecular weight is 153.56576. Its IUPAC name is called 3-Chloro-4-hydroxybenzonitrile.

Physical properties of Benzonitrile,3-chloro-4-hydroxy-: (1)ACD/LogP: 2.26; (2)ACD/LogD (pH 5.5): 2.2; (3)ACD/LogD (pH 7.4): 1.19; (4)ACD/BCF (pH 5.5): 26.88; (5)ACD/BCF (pH 7.4): 2.61; (6)ACD/KOC (pH 5.5): 354.09; (7)ACD/KOC (pH 7.4): 34.33; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.611; (12)Molar Refractivity: 37.67 cm3; (13)Molar Volume: 108.5 cm3; (14)Surface Tension: 62.7 dyne/cm; (15)Density: 1.41 g/cm3; (16)Flash Point: 114.6 °C; (17)Enthalpy of Vaporization: 52.42 kJ/mol; (18)Boiling Point: 265.9 °C at 760 mmHg; (19)Vapour Pressure: 0.00542 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1C#N)Cl)O
(2)InChI: InChI=1S/C7H4ClNO/c8-6-3-5(4-9)1-2-7(6)10/h1-3,10H
(3)InChIKey: CRYPJUOSZDQWJZ-UHFFFAOYSA-N

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