4-Fluoro-3-nitrobenzyl alcohol supplier

Name
4-FLUORO-3-NITROBENZYL ALCOHOL 96
EINECS
CAS No. 20274-69-5
Article Data25
CAS DataBase
Density 1.434 g/cm³
Solubility
Melting Point 39-44 °C(lit.)
Formula C₇H₆FNO₃
Boiling Point 333.7 °C at 760 mmHg
Molecular Weight 171.128
Flash Point 155.6 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms Benzylalcohol, 4-fluoro-3-nitro- (8CI);4-Fluoro-3-nitrobenzyl alcohol;
PSA 66.05000
LogP 1.74940

4-Fluoro-3-nitrobenzyl alcohol 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

Product Name

4-FLUORO-3-NITROBENZYL ALCOHOL 96

4-Fluoro-3-nitrobenzyl alcohol Specification

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