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18495-15-3

Basic Information
CAS No.: 18495-15-3
Name: 3-HYDROXY-4-NITROBENZONITRILE
Article Data: 9
Molecular Structure:
Molecular Structure of 18495-15-3 (3-HYDROXY-4-NITROBENZONITRILE)
Formula: C7H4N2O3
Molecular Weight: 164.12
Synonyms: 2-Nitro-5-cyanophenol;3-Hydroxy-4-nitrobenzonitrile;
Density: 1.49 g/cm3
Boiling Point: 313.6 °C at 760 mmHg
Flash Point: 143.5 °C
PSA: 89.84000
LogP: 1.69528
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  • 3-Hydroxy-4-nitrobenzonitrile  CAS NO.18495-15-3

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Specification

The Benzonitrile,3-hydroxy-4-nitro-, with the CAS registry number 18495-15-3, has the molecular formula C7H4N2O3. Its molecular weight is 164.1183. Its systematic name is called 3-hydroxy-4-nitrobenzonitrile.

Physical properties of Benzonitrile,3-hydroxy-4-nitro-: (1)ACD/LogP: 1.73; (2)ACD/LogD (pH 5.5): 1.38; (3)ACD/BCF (pH 5.5): 5.44; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 93.04; (6)ACD/KOC (pH 7.4): 2.24; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.628; (11)Molar Refractivity: 38.88 cm3; (12)Molar Volume: 109.4 cm3; (13)Surface Tension: 78.1 dyne/cm; (14)Density: 1.49 g/cm3; (15)Flash Point: 143.5 °C; (16)Enthalpy of Vaporization: 57.68 kJ/mol; (17)Boiling Point: 313.6 °C at 760 mmHg; (18)Vapour Pressure: 0.000266 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=N(=O)c1ccc(cc1O)C#N
(2)InChI: InChI=1/C7H4N2O3/c8-4-5-1-2-6(9(11)12)7(10)3-5/h1-3,10H
(3)InChIKey: JHNIFYUIFUWEFO-UHFFFAOYAZ