Name: 4-FLUORO-3-HYDROXYBENZONITRILE 98
SKU: 186590-04-5

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Basic Information

Molecular Structure:
CAS No.:	186590-04-5
Name:	4-FLUORO-3-HYDROXYBENZONITRILE 98
Article Data:	8

Formula:	C₇H₄FNO
Molecular Weight:	137.113
Synonyms:	5-Cyano-2-fluorophenol;
Density:	1.34 g/cm³
Melting Point:	69-72 °C
Boiling Point:	240.4 °C at 760mmHg
Flash Point:	99.2 °C
Hazard Symbols:	Xi
Risk Codes:	Xi:Irritant/Keep Cold; Xi:Irritant/Keep Cold;
PSA:	44.02000
LogP:	1.40298

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Specification

The Benzonitrile,4-fluoro-3-hydroxy- is an organic compound with the molecular formula C₇H₄FNO. Its CAS registry number is 186590-04-5. The IUPAC name of this chemical is called 4-Fluoro-3-hydroxybenzonitrile. It belongs to the product categories of blocks; Carboxes. What's more, the molecular weight of this chemical is 137.1111632. In addition, this chemical is irritanting and may cause inflammation to the skin or other mucous membranes.

Physical properties about Benzonitrile,4-fluoro-3-hydroxy- are: (1)ACD/LogP: 1.92; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.91; (4)ACD/LogD (pH 7.4): 1.58; (5)ACD/BCF (pH 5.5): 16.64; (6)ACD/BCF (pH 7.4): 7.7; (7)ACD/KOC (pH 5.5): 259.38; (8)ACD/KOC (pH 7.4): 120.02; (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: 1.558; (14)Molar Refractivity: 32.96 cm³; (15)Molar Volume: 102.1 cm³; (16)Polarizability: 13.06×10^-24 cm³; (17)Surface Tension: 52.9 dyne/cm; (18)Density: 1.34 g/cm³; (19)Flash Point: 99.2 °C; (20)Enthalpy of Vaporization: 49.67 kJ/mol; (21)Boiling Point: 240.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0245 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(C#N)cc1O
(2) InChI: InChI=1/C7H4FNO/c8-6-2-1-5(4-9)3-7(6)10/h1-3,10H
(3) InChIKey: LKTBMKIXEOGAGF-UHFFFAOYAM