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CAS No.: | 183065-72-7 |
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Name: | 2,3-DIFLUORO-6-BROMOBENZOIC ACID |
Molecular Structure: | |
Formula: | C7H3BrF2O2 |
Molecular Weight: | 237 |
Synonyms: | 2,3-Difluoro-6-bromobenzoic acid; |
Density: | 1.872 g/cm3 |
Boiling Point: | 283.31 °C at 760 mmHg |
Flash Point: | 125.142 °C |
PSA: | 37.30000 |
LogP: | 2.42550 |
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The Benzoic acid,6-bromo-2,3-difluoro-, with the CAS registry number 183065-72-7, is also known as 2,3-Difluoro-6-bromobenzoic acid. This chemical's molecular formula is C7H3BrF2O2 and molecular weight is 236.9983. Its systematic name is called 6-bromo-2,3-difluorobenzoic acid.
Physical properties of Benzoic acid,6-bromo-2,3-difluoro-: (1)ACD/LogP: 2.76; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.559; (10)Molar Refractivity: 40.861 cm3; (11)Molar Volume: 126.567 cm3; (12)Surface Tension: 48.581 dyne/cm; (13)Density: 1.873 g/cm3; (14)Flash Point: 125.142 °C; (15)Enthalpy of Vaporization: 55.158 kJ/mol; (16)Boiling Point: 283.31 °C at 760 mmHg; (17)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(F)c(F)ccc1Br
(2)InChI: InChI=1/C7H3BrF2O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H,11,12)
(3)InChIKey: LAIYHMCGMOJBDW-UHFFFAOYAG