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1000339-93-4

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Basic Information
CAS No.: 1000339-93-4
Name: 2-Cyano-5-fluorobenzyl alcohol
Molecular Structure:
Molecular Structure of 1000339-93-4 (2-Cyano-5-fluorobenzyl alcohol)
Formula: C8H6FNO
Molecular Weight: 151.14
Synonyms: 2-Cyano-5-fluorobenzyl alcohol;
Density: 1.274 g/cm3
Boiling Point: 275.041 °C at 760 mmHg
Flash Point: 120.141 °C
Hazard Symbols: Xi
PSA: 44.02000
LogP: 1.18968
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Specification

The 5-Chloro-1-fluoro-2-methoxy-3-nitrobenzene, with the CAS registry number 1000339-93-4, is also known as 2-Cyano-5-fluorobenzyl alcohol. This chemical's molecular formula is C8H6FNO and molecular weight is 151.14. What's more, its systematic name is 4-Fluoro-2-(hydroxymethyl)benzonitrile.

Physical properties of 5-Chloro-1-fluoro-2-methoxy-3-nitrobenzene are: (1)ACD/LogP: 0.513; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.51; (4)ACD/LogD (pH 7.4): 0.51; (5)ACD/BCF (pH 5.5): 1.45; (6)ACD/BCF (pH 7.4): 1.45; (7)ACD/KOC (pH 5.5): 45.30; (8)ACD/KOC (pH 7.4): 45.30; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 44.02 Å2; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 37.593 cm3; (15)Molar Volume: 118.67 cm3; (16)Polarizability: 14.903×10-24cm3; (17)Surface Tension: 50.1 dyne/cm; (18)Density: 1.274 g/cm3; (19)Flash Point: 120.141 °C; (20)Enthalpy of Vaporization: 54.239 kJ/mol; (21)Boiling Point: 275.041 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(cc1F)CO)C#N
(2)Std. InChI: InChI=1S/C8H6FNO/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3,11H,5H2
(3)Std. InChIKey: NJSSPVGHLXWQFD-UHFFFAOYSA-N