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