CAS No.20274-69-5,4-FLUORO-3-NITROBENZYL ALCOHOL 96 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	20274-69-5
Name:	4-FLUORO-3-NITROBENZYL ALCOHOL 96
Article Data:	25

Formula:	C₇H₆FNO₃
Molecular Weight:	171.128
Synonyms:	Benzylalcohol, 4-fluoro-3-nitro- (8CI);4-Fluoro-3-nitrobenzyl alcohol;
Density:	1.434 g/cm³
Melting Point:	39-44 °C(lit.)
Boiling Point:	333.7 °C at 760 mmHg
Flash Point:	155.6 °C
Hazard Symbols:	Xi
Risk Codes:	36
Safety:	26
PSA:	66.05000
LogP:	1.74940

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Specification

The CAS register number of Benzenemethanol,4-fluoro-3-nitro- is 20274-69-5. It also can be called as 4-Fluoro-3-nitrobenzyl alcohol and the systematic name about this chemical is (4-fluoro-3-nitrophenyl)methanol. The molecular formula about this chemical is C₇H₆FNO₃ and the molecular weight is 171.126. It belongs to the following product categories which include Alcohol; Alcohols; C7 to C8; Oxygen Compounds and so on. This chemical is irritating to eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

Physical properties about Benzenemethanol,4-fluoro-3-nitro- are: (1)ACD/LogP: 0.51; (2)ACD/LogD (pH 5.5): 0.51; (3)ACD/LogD (pH 7.4): 0.51; (4)ACD/BCF (pH 5.5): 1.43; (5)ACD/BCF (pH 7.4): 1.43; (6)ACD/KOC (pH 5.5): 44.92; (7)ACD/KOC (pH 7.4): 44.92; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 55.05Å²; (12)Index of Refraction: 1.571; (13)Molar Refractivity: 39.24 cm³; (14)Molar Volume: 119.3 cm³; (15)Polarizability: 15.55x10^-24cm³; (16)Surface Tension: 54 dyne/cm; (17)Flash Point: 155.6 °C; (18)Enthalpy of Vaporization: 60.87 kJ/mol; (19)Boiling Point: 333.7 °C at 760 mmHg; (20)Vapour Pressure: 5.3E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(ccc1F)CO
(2)InChI: InChI=1/C7H6FNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-3,10H,4H2
(3)InChIKey: MKWJZTFMDWSRIH-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C7H6FNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-3,10H,4H2
(5)Std. InChIKey: MKWJZTFMDWSRIH-UHFFFAOYSA-N