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| CAS No.: | 64695-84-7 |
|---|---|
| Name: | 2-BROMO-4,5-DIFLUOROBENZOIC ACID |
| Article Data: | 4 |
| Molecular Structure: | |
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|
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| Formula: | C7H3BrF2O2 |
| Molecular Weight: | 237 |
| Synonyms: | 2-Bromo-4,5-difluorobenzoicacid; |
| Density: | 1.872 g/cm3 |
| Melting Point: | 118-122 °C(lit.) |
| Boiling Point: | 291.3 °C at 760 mmHg |
| Flash Point: | 130 °C |
| Appearance: | White to yellow crystalline powder |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 22 |
| Safety: | 36 |
| PSA: | 37.30000 |
| LogP: | 2.42550 |
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Specification
The Benzoic acid,2-bromo-4,5-difluoro-, with the CAS registry number 64695-84-7, is also known as Benzoic acid, 2-bromo-4,5-difluoro-. It belongs to the product categories of Benzoic acid; C7; Carbonyl Compounds; Carboxylic Acids. This chemical's molecular formula is C7H3BrF2O2 and molecular weight is 237.00. Its systematic name is called 2-bromo-4,5-difluorobenzoic acid. This chemical is white to yellow crystalline powder.
Physical properties of Benzoic acid,2-bromo-4,5-difluoro-: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.37; (4)ACD/LogD (pH 7.4): -0.72; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.558; (13)Molar Refractivity: 40.86 cm3; (14)Molar Volume: 126.5 cm3; (15)Surface Tension: 48.5 dyne/cm; (16)Density: 1.872 g/cm3; (17)Flash Point: 130 °C; (18)Enthalpy of Vaporization: 56.05 kJ/mol; (19)Boiling Point: 291.3 °C at 760 mmHg; (20)Vapour Pressure: 0.000902 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health and may cause inflammation to the skin or other mucous membranes. It is harmful if swallowed. In addition, it is irritating to eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(F)c(F)cc1Br
(2)InChI: InChI=1/C7H3BrF2O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)
(3)InChIKey: DGCBGBZYTNTZJH-UHFFFAOYAB