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| CAS No.: | 196194-58-8 |
|---|---|
| Name: | 4-CHLORO-2,6-DIFLUOROBENZOIC ACID |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C7H3ClF2O2 |
| Molecular Weight: | 192.549 |
| Synonyms: | RARECHEM AL BE 1307;4-CHLORO-2,6-DIFLUOROBENZOIC ACID |
| Density: | 1.573g/cm3 |
| Melting Point: | 183-186℃ |
| Boiling Point: | 255 °C at 760 mmHg |
| Flash Point: | 108 °C |
| PSA: | 37.30000 |
| LogP: | 2.31640 |
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Specification
The 4-Chloro-2,6-difluorobenzoic acid, with CAS registry number 196194-58-8, has the systematic name of 4-chloro-2,6-difluorobenzoic acid. Besides this, it is also called Benzoic acid, 4-chloro-2,6-difluoro-. And the chemical formula of this chemical is C7H3ClF2O2.
Physical properties of 4-Chloro-2,6-difluorobenzoic acid: (1)ACD/LogP: 1.73; (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: 1.534; (12)Molar Refractivity: 38.06 cm3; (13)Molar Volume: 122.3 cm3; (14)Polarizability: 15.09×10-24cm3; (15)Surface Tension: 46.5 dyne/cm; (16)Enthalpy of Vaporization: 52.03 kJ/mol; (17)Vapour Pressure: 0.00866 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(Cl)cc(F)c1C(O)=O
(2)InChI: InChI=1/C7H3ClF2O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12)
(3)InChIKey: ZCJKTGPZLLGECQ-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C7H3ClF2O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12)
(5)Std. InChIKey: ZCJKTGPZLLGECQ-UHFFFAOYSA-N