CAS No.173900-45-3,3-CHLORO-5-METHYL-4-HYDROXYBENZONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	173900-45-3
Name:	3-CHLORO-5-METHYL-4-HYDROXYBENZONITRILE
Article Data:	2

Formula:	C₈H₆ClNO
Molecular Weight:	167.595
Synonyms:	2-Chloro-4-cyano-6-methylphenol;3-Chloro-4-hydroxy-5-methylbenzonitrile;3-Chloro-5-methyl-4-hydroxybenzonitrile;
Density:	1.34 g/cm³
Boiling Point:	287.9 °C at 760 mmHg
Flash Point:	127.9 °C
PSA:	44.02000
LogP:	2.22568

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Specification

The Benzonitrile, 3-chloro-4-hydroxy-5-methyl- is an organic compound with the molecular formula C₈H₆ClNO. Its CAS registry number is 173900-45-3. Its IUPAC name of this chemical is 3-Chloro-4-hydroxy-5-methylbenzonitrile. What's more, its molecular weight is 167.59234.

Physical properties about Benzonitrile, 3-chloro-4-hydroxy-5-methyl- are: (1)ACD/LogP: 2.72; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.69; (4)ACD/LogD (pH 7.4): 1.96; (5)ACD/BCF (pH 5.5): 64.49; (6)ACD/BCF (pH 7.4): 12.01; (7)ACD/KOC (pH 5.5): 675.72; (8)ACD/KOC (pH 7.4): 125.88; (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: 1.594; (14)Molar Refractivity: 42.29 cm³; (15)Molar Volume: 124.5 cm³; (16)Polarizability: 16.76×10^-24 cm³; (17)Surface Tension: 57.9 dyne/cm; (18)Density: 1.34 g/cm³; (19)Flash Point: 127.9 °C; (20)Enthalpy of Vaporization: 54.82 kJ/mol; (21)Boiling Point: 287.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0014 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cc(cc(Cl)c1O)C#N
(2) InChI: InChI=1/C8H6ClNO/c1-5-2-6(4-10)3-7(9)8(5)11/h2-3,11H,1H3
(3) InChIKey: LCZDCHYPSLUZID-UHFFFAOYAP