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33564-64-6

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Basic Information
CAS No.: 33564-64-6
Name: 3-BROMO-2,4,5-TRIFLUOROBENZOIC ACID
Molecular Structure:
Molecular Structure of 33564-64-6 (3-BROMO-2,4,5-TRIFLUOROBENZOIC ACID)
Formula: C7H Br F4 O2
Molecular Weight: 272.981
Synonyms: 2,3,4,6-Tetrafluorobromobenzoicacid; NSC 170094
Density: 1.949 g/cm3
Melting Point: 122-123°C
Boiling Point: 285.9 °C at 760 mmHg
Flash Point: 126.7 °C
Hazard Symbols: Xi
Risk Codes: 36/37/38
Safety: 26-36
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Chemistry

IUPAC Name: 3-bromo-2,4,5,6-tetrafluorobenzoic acid
Following is the structure of 2,4,5-Trifluoro-3-bromobenzoic acid and the derivatives (CAS NO.33564-64-6):
                         
Empirical Formula: C7H2BrF3O2
Molecular Weight: 254.9888 g/mol
Index of Refraction: 1.537
Molar Refractivity: 40.85 cm3
Molar Volume: 130.7 cm3
Density: 1.949 g/cm3
Flash Point: 126.7 °C
Melting point: 122-123 °C
Surface Tension: 46.3 dyne/cm
Enthalpy of Vaporization: 55.45 kJ/mol
Boiling Point: 285.9 °C at 760 mmHg
Vapour Pressure of 2,4,5-Trifluoro-3-bromobenzoic acid and the derivatives (CAS NO.33564-64-6): 0.00127 mmHg at 25°C
Product Categories of 2,4,5-Trifluoro-3-bromobenzoic acid and the derivatives (CAS NO.33564-64-6): Heterocyclic Compounds
Canonical SMILES: C1(=C(C(=C(C(=C1F)Br)F)F)F)C(=O)O
InChI: InChI=1S/C7HBrF4O2/c8-2-3(9)1(7(13)14)4(10)6(12)5(2)11/h(H,13,14)
InChIKey: VHISMEDHBFHJET-UHFFFAOYSA-N

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
Hazard Note: Irritant

Specification

 2,4,5-Trifluoro-3-bromobenzoic acid and the derivatives , its cas register number is 33564-64-6. It also can be called 3-Bromo-2,4,5-trifluorobenzoic acid ; and Benzoic acid, 3-bromo-2,4,5-trifluoro- .