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| CAS No.: | 194804-92-7 |
|---|---|
| Name: | 4-BROMO-2-FLUORO-3-METHOXY-BENZOIC ACID |
| Article Data: | 4 |
| Molecular Structure: | |
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|
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| Formula: | C8H6BrFO3 |
| Molecular Weight: | 249.036 |
| Synonyms: | 4-Bromo-2-fluoro-3-methoxybenzoicacid; |
| Density: | 1.701 g/cm3 |
| Melting Point: | 168-170 °C |
| Boiling Point: | 331 °C at 760 mmHg |
| Flash Point: | 154 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| PSA: | 46.53000 |
| LogP: | 2.29500 |
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Specification
The Benzoic acid, 4-bromo-2-fluoro-3-methoxy-, with the CAS registry number 194804-92-7, is also known as 4-Bromo-2-fluoro-3-methoxy-benzoic acid. This chemical's molecular formula is C8H6BrFO3 and molecular weight is 249.0338. Its systematic name is called 4-bromo-2-fluoro-3-methoxybenzoic acid. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of Benzoic acid,4-bromo-2-fluoro-3-methoxy-: (1)ACD/LogP: 2.69; (2)ACD/LogD (pH 5.5): 0.21; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 2.31; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.563; (11)Molar Refractivity: 47.54 cm3; (12)Molar Volume: 146.3 cm3; (13)Surface Tension: 47.2 dyne/cm; (14)Density: 1.701 g/cm3; (15)Flash Point: 154 °C; (16)Enthalpy of Vaporization: 60.55 kJ/mol; (17)Boiling Point: 331 °C at 760 mmHg; (18)Vapour Pressure: 6.41E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1c(F)c(ccc1Br)C(O)=O
(2)InChI: InChI=1/C8H6BrFO3/c1-13-7-5(9)3-2-4(6(7)10)8(11)12/h2-3H,1H3,(H,11,12)
(3)InChIKey: FJOKKTOXWITJGO-UHFFFAOYAR