CAS No.39835-14-8,2-HYDROXY-4-NITROBENZONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	39835-14-8
Name:	2-HYDROXY-4-NITROBENZONITRILE
Article Data:	14

Formula:	C₇H₄N₂O₃
Molecular Weight:	164.12
Synonyms:	2-Hydroxy-4-Nitrobenzonitrile;2-Hydroxy-4nitro benzonitrile;Benzonitrile, 2-hydroxy-4-nitro-;
Density:	1.49 g/cm³
Melting Point:	160-161 °C
Boiling Point:	370.6 °C at 760 mmHg
Flash Point:	177.9 °C
Hazard Symbols:	Xi
Risk Codes:	36
Safety:	26
PSA:	89.84000
LogP:	1.69528

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Specification

The CAS register number of 2-Hydroxy-4-nitro-benzonitrile is 39835-14-8. It also can be called as Benzonitrile, 2-hydroxy-4-nitro- and the IUPAC name about this chemical is 2-hydroxy-4-nitrobenzonitrile. The molecular formula about this chemical is C₇H₄N₂O₃ and the molecular weight is 164.12. It belongs to the Aromatic Nitriles.

Physical properties about 2-Hydroxy-4-nitro-benzonitrile are: (1)ACD/LogP: 1.86; (2)#H bond acceptors: 5; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 78.84Å²; (6)Index of Refraction: 1.628; (7)Molar Refractivity: 38.88 cm³; (8)Molar Volume: 109.4 cm³; (9)Polarizability: 15.41x10^-24cm³; (10)Surface Tension: 78.1 dyne/cm; (11)Flash Point: 177.9 °C; (12)Enthalpy of Vaporization: 64.18 kJ/mol; (13)Boiling Point: 370.6 °C at 760 mmHg; (14)Vapour Pressure: 5.13E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc(cc1O)[N+]([O-])=O
(2)InChI: InChI=1/C7H4N2O3/c8-4-5-1-2-6(9(11)12)3-7(5)10/h1-3,10H
(3)InChIKey: DZNPHVPBCNZVGW-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C7H4N2O3/c8-4-5-1-2-6(9(11)12)3-7(5)10/h1-3,10H
(5)Std. InChIKey: DZNPHVPBCNZVGW-UHFFFAOYSA-N