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| CAS No.: | 1622-14-6 |
|---|---|
| Name: | 4-Bromo-3-(trifluoromethyl)benzoic acid |
| Molecular Structure: | |
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| Formula: | C8H4BrF3O2 |
| Molecular Weight: | 269.02 |
| Synonyms: | 4-(2,6,6-TriMethyl-1-cyclohe;3-(Trifluoromethyl)-4-bromobenzoic acid;4-BROMO-3-(TRIFLUOROMETHYL)BENZOIC ACID |
| Density: | 1.773 g/cm3 |
| Boiling Point: | 289.2 °C at 760 mmHg |
| Flash Point: | 128.7 °C |
| PSA: | 37.30000 |
| LogP: | 3.16610 |
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Specification
The 4-Bromo-3-(trifluoromethyl)benzoic acid is an organic compound with the formula C8H4BrF3O2. The systematic name of this chemical is 4-Bromo-3-(trifluoromethyl)benzoic acid. With the CAS registry number 1622-14-6, it is also named as 3-(Trifluoromethyl)-4-bromobenzoic acid. The product's categories are Aromatic Carboxylic Acids; Amides; Anilides; Anhydrides and Salts. Besides, its molecular weight is 269.02.
Physical properties about 4-Bromo-3-(trifluoromethyl)benzoic acid are: (1)ACD/LogP: 3.80; (2)ACD/LogD (pH 5.5): 1.87; (3)ACD/LogD (pH 7.4): 0.73; (4)ACD/BCF (pH 5.5): 5.3; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 32.35; (7)ACD/KOC (pH 7.4): 2.36; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 37.3 Å2; (12)Index of Refraction: 1.516; (13)Molar Refractivity: 45.85 cm3; (14)Molar Volume: 151.6 cm3; (15)Polarizability: 18.17×10-24 cm3; (16)Surface Tension: 38.2 dyne/cm; (17)Density: 1.773 g/cm3; (18)Flash Point: 128.7 °C; (19)Enthalpy of Vaporization: 55.81 kJ/mol; (20)Boiling Point: 289.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00103 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H4BrF3O2/c9-6-2-1-4(7(13)14)3-5(6)8(10,11)12/h1-3H,(H,13,14)
(2)InChIKey: GPBPFDPENZHCPR-UHFFFAOYAK
(3)Std. InChI: InChI=1S/C8H4BrF3O2/c9-6-2-1-4(7(13)14)3-5(6)8(10,11)12/h1-3H,(H,13,14)
(4)Std. InChIKey: GPBPFDPENZHCPR-UHFFFAOYSA-N