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CAS No.: | 14742-36-0 |
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Name: | 3,4,5,6-TETRAFLUORO-2-HYDROXYBENZOIC ACID |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C7H2F4O3 |
Molecular Weight: | 210.085 |
Synonyms: | 2,3,4,5-Tetrafluoro-6-hydroxybenzoic acid;3,4,5,6-Tetrafluorosalicylic acid; |
Density: | 1.792 g/cm3 |
Melting Point: | 173 °C |
Boiling Point: | 282.1 °C at 760 mmHg |
Flash Point: | 124.4 °C |
Hazard Symbols: | R36/37/38:; |
Risk Codes: | 36/37/38 |
Safety: | 36/37/39 |
PSA: | 57.53000 |
LogP: | 1.64680 |
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The Benzoic acid, 2, 3, 4, 5-tetrafluoro-6-hydroxy-, with the CAS registry number 14742-36-0, is also known as 3, 4, 5, 6-Tetrafluorosalicylic acid. This chemical's molecular formula is C7H2F4O3 and molecular weight is 210.08. What's more, its systematic name is 2, 3, 4, 5-Tetrafluoro-6-hydroxybenzoic acid.
Physical properties about Benzoic acid, 2, 3, 4, 5-tetrafluoro-6-hydroxy- are: (1)ACD/LogP: 3.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.67; (4)ACD/LogD (pH 7.4): 0.66; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.02; (8)ACD/KOC (pH 7.4): 1.98; (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: 1.509; (14)Molar Refractivity: 35.03 cm3; (15)Molar Volume: 117.2 cm3; (16)Polarizability: 13.89×10-24 cm3; (17)Surface Tension: 50.7 dyne/cm; (18)Density: 1.792 g/cm3; (19)Flash Point: 124.4 °C; (20)Enthalpy of Vaporization: 55.03 kJ/mol; (21)Boiling Point: 282.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00162 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. During using it, you should wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(F)c(F)c(C(O)=O)c(O)c1F
(2) InChI: InChI=1/C7H2F4O3/c8-2-1(7(13)14)6(12)5(11)4(10)3(2)9/h12H,(H,13,14)
(3) InChIKey: WKYGDMSOKGXAAY-UHFFFAOYAT