-
Name
3,5-DIFLUORO-2-HYDROXY-BENZOIC ACID
- EINECS
- CAS No. 84376-20-5
- Article Data5
- CAS DataBase
- Density 1.6 g/cm3
- Solubility
- Melting Point 188-189℃ (toluene )
- Formula C7H4F2O3
- Boiling Point 276.6 °C at 760 mmHg
- Molecular Weight 174.104
- Flash Point 121.1 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
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Hazard Symbols
Xi
- Synonyms 3,5-Difluorosalicylic acid;Benzoic acid, 3,5-difluoro-2-hydroxy-;
- PSA 57.53000
- LogP 1.36860
3,5-Difluoro-2-hydroxybenzoic acid Specification
The 3,5-Difluoro-2-hydroxybenzoic acid is an organic compound with the formula C7H4F2O3. The IUPAC name of this chemical is 3,5-Difluoro-2-hydroxybenzoic acid. With the CAS registry number 84376-20-5, it is also named as 3,5-Difluorosalicylic acid. The category of the product is Pharmacetical. Besides, its molecular weight is 174.10.
The physical properties of 3,5-Difluoro-2-hydroxybenzoic acid are: (1)ACD/LogP: 3.05; (2)ACD/LogD (pH 5.5): -0.08; (3)ACD/LogD (pH 7.4): -0.1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 35.53 Å2; (12)Index of Refraction: 1.557; (13)Molar Refractivity: 35.05 cm3; (14)Molar Volume: 108.8 cm3; (15)Polarizability: 13.89×10-24 cm3; (16)Surface Tension: 56.7 dyne/cm; (17)Density: 1.6 g/cm3; (18)Flash Point: 121.1 °C; (19)Enthalpy of Vaporization: 54.41 kJ/mol; (20)Boiling Point: 276.6 °C at 760 mmHg; (21)Vapour Pressure: 0.0023 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(C(=O)O)c(O)c(F)c1
(2)InChI: InChI=1/C7H4F2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)
(3)InChIKey: GZPCNALAXFNOBT-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C7H4F2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)
(5)Std. InChIKey: GZPCNALAXFNOBT-UHFFFAOYSA-N
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