Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Methyl 3-bromo-5-fluorobenzoate |
EINECS | N/A |
CAS No. | 334792-52-8 | Density | 1.578 g/cm3 |
PSA | 26.30000 | LogP | 2.37480 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H6BrFO2 | Boiling Point | 251.597 °C at 760 mmHg |
Molecular Weight | 233.037 | Flash Point | 105.962 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-45 | Risk Codes | 25-36 |
Molecular Structure | Hazard Symbols | T | |
Synonyms |
3-Bromo-5-fluorobenzoicacid methyl ester; |
Article Data | 6 |
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