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Benzoic acid, 2-bromo-4-fluoro-

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Name

Benzoic acid, 2-bromo-4-fluoro-

EINECS N/A
CAS No. 14632-85-0 Density 1.789 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C7H4BrFO2 Boiling Point 294.3 °C at 760 mmHg
Molecular Weight 219.0079 Flash Point 131.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 14632-85-0 (Benzoic acid, 2-bromo-4-fluoro-) Hazard Symbols N/A
Synonyms

2-Bromo-4-fluorobenzoic acid;

 

Benzoic acid, 2-bromo-4-fluoro- Specification

The Benzoic acid, 2-bromo-4-fluoro-, with the CAS registry number 14632-85-0, is also known as 2-Bromo-4-fluorobenzoicacid. This chemical's molecular formula is C7H4BrFO2 and molecular weight is 219.0079. What's more, its systematic name is 2-Bromo-4-fluorobenzoic acid.

Physical properties about Benzoic acid, 2-bromo-4-fluoro- are: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.26; (4)ACD/LogD (pH 7.4): -0.82; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.15; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 40.86 cm3; (15)Molar Volume: 122.3 cm3; (16)Polarizability: 16.2×10-24 cm3; (17)Surface Tension: 51 dyne/cm; (18)Density: 1.789 g/cm3; (19)Flash Point: 131.8 °C; (20)Enthalpy of Vaporization: 56.38 kJ/mol; (21)Boiling Point: 294.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000745 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1ccc(F)cc1Br
(2) InChI: InChI=1/C7H4BrFO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H,10,11)
(3) InChIKey: RRKPMLZRLKTDQV-UHFFFAOYAJ

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