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CAS No.: | 214917-68-7 |
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Name: | 2,6-Difluoro-4-hydroxybenzoic acid |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C7H4F2O3 |
Molecular Weight: | 174.104 |
Synonyms: | 2,6-Difluoro-4-hydroxybenzoicacid;2,6-difluoro-4-hydroxybenzoic acid;2,6-difluoro-4-hydroxybenzoic acid;Benzoic acid, 2,6-difluoro-4-hydroxy-; |
EINECS: | 630-270-0 |
Density: | 1.6 g/cm3 |
Melting Point: | 170-171 °C |
Boiling Point: | 323.3 °C at 760 mmHg |
Flash Point: | 149.3 °C |
Hazard Symbols: | Xi |
PSA: | 57.53000 |
LogP: | 1.36860 |
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The 2,6-Difluoro-4-hydroxybenzoic acid, with the CAS registry number 214917-68-7, has the systematic name of 2,6-difluoro-4-hydroxybenzoic acid. It belongs to the following product categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. And the molecular formula of this chemical is C7H4F2O3.
The physical properties of 2,6-Difluoro-4-hydroxybenzoic acid are as following: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.55; (4)ACD/LogD (pH 7.4): -1.33; (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: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.557; (14)Molar Refractivity: 35.05 cm3; (15)Molar Volume: 108.8 cm3; (16)Polarizability: 13.89×10-24cm3; (17)Surface Tension: 56.7 dyne/cm; (18)Density: 1.6 g/cm3; (19)Flash Point: 149.3 °C; (20)Enthalpy of Vaporization: 59.66 kJ/mol; (21)Boiling Point: 323.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000109 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(C(=O)O)c(F)cc(O)c1
(2)InChI: InChI=1/C7H4F2O3/c8-4-1-3(10)2-5(9)6(4)7(11)12/h1-2,10H,(H,11,12)
(3)InChIKey: NFIQGYBXSJQLSR-UHFFFAOYAE