Benzoic acid,4-fluoro-2-nitro-, methyl ester supplier

Name
Methyl 4-fluoro-2-nitrobenzoate
EINECS
CAS No. 151504-81-3
Article Data7
CAS DataBase
Density 1.388 g/cm³
Solubility
Melting Point
Formula C₈H₆FNO₄
Boiling Point 272.1 °C at 760 mmHg
Molecular Weight 199.138
Flash Point 118.4 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Fluoro-2-nitrobenzoicacid methyl ester;Methyl 4-fluoro-2-nitrobenzoate;
PSA 72.12000
LogP 2.04370

Benzoic acid,4-fluoro-2-nitro-, methyl ester Specification

The Benzoic acid,4-fluoro-2-nitro-, methyl ester, with the CAS registry number 151504-81-3, is also known as 4-Fluoro-2-nitrobenzoicacid methyl ester. This chemical's molecular formula is C₈H₆FNO₄ and molecular weight is 199.14. What's more, its systematic name is Methyl 4-fluoro-2-nitrobenzoate and it belongs to the product categories of Blocks; Carboxes; Fluoro Compounds; Nitro Compounds.

Physical properties of Benzoic acid,4-fluoro-2-nitro-, methyl ester are: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.64; (4)ACD/LogD (pH 7.4): 1.64; (5)ACD/BCF (pH 5.5): 10.34; (6)ACD/BCF (pH 7.4): 10.34; (7)ACD/KOC (pH 5.5): 185.31; (8)ACD/KOC (pH 7.4): 185.31; (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: 118.4 °C; (20)Enthalpy of Vaporization: 51.04 kJ/mol; (21)Boiling Point: 272.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00619 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1ccc(F)cc1N(=O)=O
(2)InChI: InChI=1/C8H6FNO4/c1-14-8(11)6-3-2-5(9)4-7(6)10(12)13/h2-4H,1H3
(3)InChIKey: YBAZOLISUXINHV-UHFFFAOYSA-N

Product Name

Methyl 4-fluoro-2-nitrobenzoate

Benzoic acid,4-fluoro-2-nitro-, methyl ester Specification

Related Products

Hot Products