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Basic Information
CAS No.: 183065-68-1
Name: 4-Bromo-2,6-difluorobenzoic acid
Article Data: 13
Molecular Structure:
Molecular Structure of 183065-68-1 (4-Bromo-2,6-difluorobenzoic acid)
Formula: C7H3BrF2O2
Molecular Weight: 237
Synonyms: 2,6-Difluoro-4-bromobenzoicacid;4-bromo-2,6-difluoro-benzoic acid;
EINECS: 457-940-3
Density: 1.873 g/cm3
Melting Point: 201-203 °C
Boiling Point: 271.686 °C at 760 mmHg
Flash Point: 118.112 °C
Appearance: Off-white crystal
Hazard Symbols: IrritantXi
Risk Codes: 22-36/37/38
Safety: 26-37
PSA: 37.30000
LogP: 2.42550
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    Product Name: 4-Bromo-2,6-difluorobenzoic acid Synonyms: RARECHEM AL BE 1306;SALOR-INT L446564-1EA;4-BROMO-2,6-DIFLUOROBENZOIC ACID;BENZOIC ACID, 4-BROMO-2,6-DIFLUORO-;4- broMo-2,6- twofluoro benzoic acid;4-Bromo-2,6-difluorobenzoic acid, >=

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    4-bromo-2,6-difluorobenzoic acid

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    183065-68-1

    4-bromo-2,6-difluorobenzoic Acid

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Specification

The Benzoicacid, 4-bromo-2,6-difluoro-, with the CAS registry number 183065-68-1, has the systematic name of 4-bromo-2,6-difluoro-benzoic acid. It is a kind of off-white crystal, and belongs to the following product categories: Multisubstituted Benzene; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid. And the molecular formula of this chemical is C7H3BrF2O2.

The physical properties of Benzoicacid, 4-bromo-2,6-difluoro- are as following: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 37.3 Å2; (11)Index of Refraction: 1.559; (12)Molar Refractivity: 40.861 cm3; (13)Molar Volume: 126.567 cm3; (14)Polarizability: 16.198×10-24cm3; (15)Surface Tension: 48.581 dyne/cm; (16)Density: 1.873 g/cm3; (17)Flash Point: 118.112 °C; (18)Enthalpy of Vaporization: 53.867 kJ/mol; (19)Boiling Point: 271.686 °C at 760 mmHg; (20)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cc(c(c1F)C(=O)O)F)Br
(2)InChI: InChI=1/C7H3BrF2O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12)
(3)InChIKey: IRHPJGPQWZEZRX-UHFFFAOYAE