Benzoic acid, 2-bromo-5-fluoro-, methyl ester supplier

Name
METHYL 2-BROMO-5-FLUOROBENZOATE
EINECS
CAS No. 6942-39-8
Article Data15
CAS DataBase
Density 1.577 g/cm³
Solubility
Melting Point
Formula C₈H₆BrFO₂
Boiling Point 247.5 °C at 760 mmHg
Molecular Weight 233.037
Flash Point 103.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Methyl-2-brom-5-fluorbenzolcarboxylat;2-Bromo-5-fluorobenzoic acid, methyl ester;
PSA
LogP

Benzoic acid, 2-bromo-5-fluoro-, methyl ester Specification

The Benzoic acid, 2-bromo-5-fluoro-, methyl ester, with the CAS registry number 6942-39-8, is also known as Methyl-2-brom-5-fluorbenzolcarboxylat and 2-Bromo-5-fluorobenzoic acid, methyl ester. It belongs to the product categories of Blocks; Bromides; Carboxes; FluoroCompounds; Benzene series; Acids & Esters; Bromine Compounds; Fluorine Compounds. This chemical's molecular formula is C₈H₆BrFO₂ and molecular weight is 233.03. What's more, both its IUPAC name and systematic name are the same which is called Methyl 2-bromo-5-fluorobenzoate.

Physical properties about Benzoic acid, 2-bromo-5-fluoro-, methyl ester are: (1)ACD/LogP: 2.73; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.73; (4)ACD/LogD (pH 7.4): 2.73; (5)ACD/BCF (pH 5.5): 70.32; (6)ACD/BCF (pH 7.4): 70.32; (7)ACD/KOC (pH 5.5): 730.71; (8)ACD/KOC (pH 7.4): 730.71; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 45.7 cm³; (15)Molar Volume: 147.7 cm³; (16)Polarizability: 18.12×10^-24 cm³; (17)Surface Tension: 39.2 dyne/cm; (18)Density: 1.577 g/cm³; (19)Flash Point: 103.5 °C; (20)Enthalpy of Vaporization: 48.47 kJ/mol; (21)Boiling Point: 247.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0255 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)c1cc(F)ccc1Br
(2) InChI: InChI=1/C8H6BrFO2/c1-12-8(11)6-4-5(10)2-3-7(6)9/h2-4H,1H3
(3) InChIKey: FCMQMRAFVRTHCR-UHFFFAOYAX

Product Name

METHYL 2-BROMO-5-FLUOROBENZOATE

Benzoic acid, 2-bromo-5-fluoro-, methyl ester Specification

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