Methyl 3-bromo-2-fluorobenzoate supplier

Name
3-Bromo-2-fluorobenzoic acid methyl ester
EINECS
CAS No. 206551-41-9
Article Data13
CAS DataBase
Density 1.578 g/cm³
Solubility
Melting Point 35-37℃
Formula C₈H₆BrFO₂
Boiling Point 255.391 °C at 760 mmHg
Molecular Weight 233.037
Flash Point 108.257 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Bromo-2-fluorobenzoic acid methyl ester
PSA 26.30000
LogP 2.37480

Methyl 3-bromo-2-fluorobenzoate Specification

The Methyl 3-bromo-2-fluorobenzoate, with the CAS registry number 206551-41-9, is also known as Benzoic acid, 3-bromo-2-fluoro-, methyl ester. This chemical's molecular formula is C₈H₆BrFO₂ and molecular weight is 233.034443. What's more, its IUPAC name is Methyl 3-bromo-2-fluorobenzoate.

Physical properties about Methyl 3-bromo-2-fluorobenzoate are: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 50; (6)ACD/BCF (pH 7.4): 50; (7)ACD/KOC (pH 5.5): 575; (8)ACD/KOC (pH 7.4): 575; (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: 45.71 cm³; (15)Molar Volume: 147.721 cm³; (16)Polarizability: 18.121×10^-24cm³; (17)Surface Tension: 39.25 dyne/cm; (18)Density: 1.578 g/cm³; (19)Flash Point: 108.257 °C; (20)Enthalpy of Vaporization: 49.286 kJ/mol; (21)Boiling Point: 255.391 °C at 760 mmHg; (22)Vapour Pressure: 0.016 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(cccc1Br)C(=O)OC
(2) InChI: InChI=1/C8H6BrFO2/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4H,1H3
(3) InChIKey: ZWOFHFOFKBYRHV-UHFFFAOYAK

Product Name

3-Bromo-2-fluorobenzoic acid methyl ester

Methyl 3-bromo-2-fluorobenzoate Specification

Related Products

Hot Products