3-Bromo-4-(trifluoromethyl)benzoic acid supplier

Name
3-Bromo-4-(trifluoromethyl)benzoic acid
EINECS
CAS No. 581813-17-4
Article Data6
CAS DataBase
Density 1.774 g/cm³
Solubility
Melting Point
Formula C₈H₄BrF₃O₂
Boiling Point 292.764 °C at 760 mmHg
Molecular Weight 269.018
Flash Point 130.859 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoic acid, 3-bromo-4-(trifluoromethyl)-;
PSA 37.30000
LogP 3.16610

3-Bromo-4-(trifluoromethyl)benzoic acid Specification

The 3-Bromo-4-(trifluoromethyl)benzoic acid, with the CAS registry number 581813-17-4, is also known as Benzoic acid, 3-bromo-4-(trifluoromethyl)-. This chemical's molecular formula is C₈H₄BrF₃O₂ and molecular weight is 269.0154. What's more, its systematic name is 3-Bromo-4-(trifluoromethyl)benzoic acid.

Physical properties about 3-Bromo-4-(trifluoromethyl)benzoic acid are: (1)ACD/LogP: 4.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20; (8)ACD/KOC (pH 7.4): 2; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 45.853 cm³; (15)Molar Volume: 151.658 cm³; (16)Polarizability: 18.178×10^-24 cm³; (17)Surface Tension: 38.228 dyne/cm; (18)Density: 1.774 g/cm³; (19)Flash Point: 130.859 °C; (20)Enthalpy of Vaporization: 56.214 kJ/mol; (21)Boiling Point: 292.764 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1ccc(cc1Br)C(O)=O
(2) InChI: InChI=1/C8H4BrF3O2/c9-6-3-4(7(13)14)1-2-5(6)8(10,11)12/h1-3H,(H,13,14)
(3) InChIKey: OWNPWXHFRGDHMC-UHFFFAOYAF

Product Name

3-Bromo-4-(trifluoromethyl)benzoic acid

3-Bromo-4-(trifluoromethyl)benzoic acid Specification

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