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CAS No.: | 153556-42-4 |
---|---|
Name: | 4-Bromo-3-fluorobenzoic acid |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C7H4BrFO2 |
Molecular Weight: | 219.01 |
Synonyms: | 3-Fluoro-4-bromobenzoicacid; |
EINECS: | 630-193-2 |
Density: | 1.789 g/cm3 |
Melting Point: | 207 °C |
Boiling Point: | 296.1 °C at 760 mmHg |
Flash Point: | 132.9 °C |
Appearance: | white crystal powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 37.30000 |
LogP: | 2.28640 |
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The Benzoic acid,4-bromo-3-fluoro- is an organic compound with the formula C7H4BrFO2. The IUPAC name of this chemical is 4-Bromo-3-fluorobenzoic acid. And the CAS registry number of this chemical is 153556-42-4. The product's categories are Fluorin-contained Benzoic Acid Series; Blocks; Bromides; Carboxes; FluoroCompounds; Multisubstituted Benzene; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides and Salts; Benzoic Acid; Miscellaneous; Acids and Esters; Bromine Compounds; Fluorine Compounds. Besides, it should be stored in a cool, sealed, dry, well-ventilated place.
Physical properties about Benzoic acid,4-bromo-3-fluoro- are: (1)ACD/LogP: 3.04; (2)ACD/LogD (pH 5.5): 1.19; (3)ACD/LogD (pH 7.4): -0.02; (4)ACD/BCF (pH 5.5): 1.7; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 15.13; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.582; (13)Molar Refractivity: 40.86 cm3; (14)Molar Volume: 122.3 cm3; (15)Polarizability: 16.2×10-24 cm3; (16)Surface Tension: 51 dyne/cm; (17)Density: 1.789 g/cm3; (18)Flash Point: 132.9 °C; (19)Enthalpy of Vaporization: 56.58 kJ/mol; (20)Boiling Point: 296.1 °C at 760 mmHg; (21)Vapour Pressure: 0.000663 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C7H4BrFO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
(2)InChIKey: RMYOGXPGIDWJLU-UHFFFAOYAN
(3)Std. InChI: InChI=1S/C7H4BrFO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
(4)Std. InChIKey: RMYOGXPGIDWJLU-UHFFFAOYSA-N