Methyl 5-fluoro-2-nitrobenzoate supplier

Name
2-NITRO-5-FLUOROBENZOIC ACID, METHYL ESTER
EINECS
CAS No. 393-85-1
Article Data13
CAS DataBase
Density 1.388g/cm³
Solubility Slightly soluble in water. Soluble in dimethyl sulfoxide and acetone.
Melting Point 40-42°C
Formula C₈H₆FNO₄
Boiling Point 281.9 °C at 760 mmHg
Molecular Weight 199.138
Flash Point 124.3 °C
Transport Information
Appearance Off-White to Yellow Solid
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Methoxycarbonyl-4-nitrofluorobenzene;5-Fluoro-2-nitro-benzoic acid methyl ester;Methyl 5-fluoro-2-nitrobenzoate;
PSA 72.12000
LogP 2.04370

Methyl 5-fluoro-2-nitrobenzoate Specification

The Methyl 5-fluoro-2-nitrobenzoate, with CAS registry number 393-85-1, belongs to the following product categories: (1)Aromatic Esters; (2)Aromatics Compounds; (3)Aromatics. It has the systematic name of methyl 5-fluoro-2-nitrobenzoate. This chemical is a kind of off-white to yellow solid. And the chemical formula of this chemical is C₈H₆FNO₄.

Physical properties of Methyl 5-fluoro-2-nitrobenzoate: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.71; (4)ACD/LogD (pH 7.4): 1.71; (5)ACD/BCF (pH 5.5): 11.71; (6)ACD/BCF (pH 7.4): 11.71; (7)ACD/KOC (pH 5.5): 202.54; (8)ACD/KOC (pH 7.4): 202.54; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 72.12 Å²; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 44.56 cm³; (15)Molar Volume: 143.3 cm³; (16)Polarizability: 17.66×10^-24cm³; (17)Surface Tension: 46.6 dyne/cm; (18)Density: 1.388 g/cm³; (19)Flash Point: 124.3 °C; (20)Enthalpy of Vaporization: 52.07 kJ/mol; (21)Boiling Point: 281.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00346 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1c(cc(F)cc1)C(=O)OC
(2)InChI: InChI=1/C8H6FNO4/c1-14-8(11)6-4-5(9)2-3-7(6)10(12)13/h2-4H,1H3
(3)InChIKey: LCAUVFVOLNRVKG-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8H6FNO4/c1-14-8(11)6-4-5(9)2-3-7(6)10(12)13/h2-4H,1H3
(5)Std. InChIKey: LCAUVFVOLNRVKG-UHFFFAOYSA-N

Product Name

2-NITRO-5-FLUOROBENZOIC ACID, METHYL ESTER

Methyl 5-fluoro-2-nitrobenzoate Specification

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