Methyl 3-fluoro-4-nitrobenzoate supplier

Name
METHYL 3-FLUORO-4-NITROBENZENECARBOXYLATE
EINECS
CAS No. 185629-31-6
Article Data27
CAS DataBase
Density 1.388 g/cm³
Solubility
Melting Point 59-61 °C
Formula C₈H₆FNO₄
Boiling Point 314.6 °C at 760 mmHg
Molecular Weight 199.138
Flash Point 144.1 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Fluoro-4-nitrobenzoicacid methyl ester;
PSA 72.12000
LogP 2.04370

Methyl 3-fluoro-4-nitrobenzoate Specification

The CAS register number of Methyl 3-fluoro-4-nitrobenzoate is 185629-31-6. It also can be called as 3-Fluoro-4-nitrobenzoic acid methyl ester and the systematic name about this chemical is methyl 3-fluoro-4-nitrobenzoate. The molecular formula about this chemical is C₈H₆FNO₄and molecular weight is 199.14. It belongs to the following product categories, such as Blocks; Carboxes and so on.

Physical properties about Methyl 3-fluoro-4-nitrobenzoate are: (1)ACD/LogP: 1.74; (2)ACD/LogD (pH 5.5): 1.74; (3)ACD/LogD (pH 7.4): 1.74; (4)ACD/BCF (pH 5.5): 12.4; (5)ACD/BCF (pH 7.4): 12.4; (6)ACD/KOC (pH 5.5): 211; (7)ACD/KOC (pH 7.4): 211; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 72.12Å²; (11)Index of Refraction: 1.533; (12)Molar Refractivity: 44.56 cm³; (13)Molar Volume: 143.3 cm³; (14)Polarizability: 17.66x10^-24cm³; (15)Surface Tension: 46.6 dyne/cm; (16)Enthalpy of Vaporization: 55.58 kJ/mol; (17)Boiling Point: 314.6 °C at 760 mmHg; (18)Vapour Pressure: 0.00046 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1ccc(cc1F)C(=O)OC
(2)InChI: InChI=1/C8H6FNO4/c1-14-8(11)5-2-3-7(10(12)13)6(9)4-5/h2-4H,1H3
(3)InChIKey: FKMZNQQOPCCUTD-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C8H6FNO4/c1-14-8(11)5-2-3-7(10(12)13)6(9)4-5/h2-4H,1H3
(5)Std. InChIKey: FKMZNQQOPCCUTD-UHFFFAOYSA-N

Product Name

METHYL 3-FLUORO-4-NITROBENZENECARBOXYLATE

Methyl 3-fluoro-4-nitrobenzoate Specification

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