Methyl 3-bromo-5-fluorobenzoate supplier

Name
METHYL 3-BROMO-5-FLUOROBENZOATE
EINECS
CAS No. 334792-52-8
Article Data6
CAS DataBase
Density 1.578 g/cm³
Solubility
Melting Point
Formula C₈H₆BrFO₂
Boiling Point 251.597 °C at 760 mmHg
Molecular Weight 233.037
Flash Point 105.962 °C
Transport Information
Appearance
Safety 26-45
Risk Codes 25-36
Molecular Structure
Hazard Symbols T
Synonyms 3-Bromo-5-fluorobenzoicacid methyl ester;
PSA 26.30000
LogP 2.37480

Methyl 3-bromo-5-fluorobenzoate Specification

The Benzoicacid, 3-bromo-5-fluoro-, methyl ester is an organic compound with the formula C₈H₆BrFO₂. The systematic name of this chemical is Methyl 3-bromo-5-fluorobenzoate. With the CAS registry number 334792-52-8, it is also named as Methyl 3-bromo-5-flluorobenzoate. The product's categories are Acids and Esters; Bromine compounds; Fluorine compounds. Besides, it should be stored at room temperature.

Physical properties about Benzoicacid, 3-bromo-5-fluoro-, methyl ester are: (1)ACD/LogP: 2.23; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 138; (5)ACD/BCF (pH 7.4): 138; (6)ACD/KOC (pH 5.5): 1187; (7)ACD/KOC (pH 7.4): 1187; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 26.3 Å²; (11)Index of Refraction: 1.531; (12)Molar Refractivity: 45.71 cm³; (13)Molar Volume: 147.721 cm³; (14)Polarizability: 18.121×10^-24 cm³; (15)Surface Tension: 39.25 dyne/cm; (16)Density: 1.578 g/cm³; (17)Flash Point: 105.962 °C; (18)Enthalpy of Vaporization: 48.891 kJ/mol; (19)Boiling Point: 251.597 °C at 760 mmHg; (20)Vapour Pressure: 0.02 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H6BrFO2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3
(2)InChIKey: JERAACCIOWRRQA-UHFFFAOYAX
(3)Std. InChI: InChI=1S/C8H6BrFO2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3
(4)Std. InChIKey: JERAACCIOWRRQA-UHFFFAOYSA-N

Product Name

METHYL 3-BROMO-5-FLUOROBENZOATE

Methyl 3-bromo-5-fluorobenzoate Specification

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