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Benzonitrile,5-chloro-2-hydroxy-

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Name

Benzonitrile,5-chloro-2-hydroxy-

EINECS N/A
CAS No. 13589-72-5 Density 1.41 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point 152-154 °C
Formula C7H4ClNO Boiling Point 269.4 °C at 760 mmHg
Molecular Weight 153.568 Flash Point 116.7 °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 13589-72-5 (5-CHLORO-2-HYDROXYBENZONITRILE) Hazard Symbols Xn
Synonyms

Salicylonitrile,5-chloro- (6CI,8CI);2-Cyano-4-chlorophenol;2-Hydroxy-5-chlorobenzonitrile;4-Chloro-2-cyanophenol;5-Chloro-2-hydroxybenzonitrile;5-Chlorosalicylonitrile;

Article Data 20

Benzonitrile,5-chloro-2-hydroxy- Specification

The Benzonitrile,5-chloro-2-hydroxy- is an organic compound with the formula C7H4ClNO. The systematic name of this chemical is 5-chloro-2-hydroxybenzonitrile. With the CAS registry number 13589-72-5, it is also named as 4-Chloro-2-cyanophenol. The product's categories are Aromatic Nitriles; Phenyls & Phenyl-Het; Phenyls & Phenyl-Het.

Physical properties about Benzonitrile,5-chloro-2-hydroxy- are: (1)ACD/LogP: 2.65; (2)ACD/LogD (pH 5.5): 2.63; (3)ACD/LogD (pH 7.4): 1.89; (4)ACD/BCF (pH 5.5): 57.75; (5)ACD/BCF (pH 7.4): 10.62; (6)ACD/KOC (pH 5.5): 624.17; (7)ACD/KOC (pH 7.4): 114.82; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 33.02 Å2; (12)Index of Refraction: 1.611; (13)Molar Refractivity: 37.67 cm3; (14)Molar Volume: 108.5 cm3; (15)Polarizability: 14.93×10-24cm3; (16)Surface Tension: 62.7 dyne/cm; (17)Density: 1.41 g/cm3; (18)Flash Point: 116.7 °C; (19)Enthalpy of Vaporization: 52.8 kJ/mol; (20)Boiling Point: 269.4 °C at 760 mmHg; (21)Vapour Pressure: 0.00438 mmHg at 25°C.

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

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(C#N)c(O)cc1
(2)InChI: InChI=1/C7H4ClNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H
(3)InChIKey: XWQDMIXVAYAZGB-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C7H4ClNO/c8-6-1-2-7(10)5(3-6)4-9/h1-3,10H
(5)Std. InChIKey: XWQDMIXVAYAZGB-UHFFFAOYSA-N

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