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CAS No.: | 161531-51-7 |
---|---|
Name: | 2,4-difluoro-5-iodobenzoic acid |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C7H3F2IO2 |
Molecular Weight: | 284.00 |
Synonyms: | Benzoic acid,2,4-difluoro-5-iodo;2,4,6-TRIFLUORO-3,5-BIS(HYDROXYMETHYL)BENZOTRIFLUORIDE; |
Density: | 2.144 g/cm3 |
Melting Point: | 151-152 °C |
Boiling Point: | 318.944 °C at 760 mmHg |
Flash Point: | 146.692 °C |
Hazard Symbols: | T |
Risk Codes: | 25 |
Safety: | 45 |
PSA: | 37.30000 |
LogP: | 2.26760 |
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The 2,4-Difluoro-5-iodobenzoic acid, with the CAS registry number 161531-51-7, is also known as Benzoic acid, 2,4-difluoro-5-iodo-. This chemical's molecular formula is C7H3F2IO2 and molecular weight is 284.00. What's more, its systematic name is 2,4-Difluoro-5-iodobenzoic acid.
Physical properties of 2,4-Difluoro-5-iodobenzoic acid are: (1)ACD/LogP: 3.483; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.96; (4)ACD/LogD (pH 7.4): 0.35; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 5.61; (8)ACD/KOC (pH 7.4): 1.38; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.613; (14)Molar Refractivity: 46.077 cm3; (15)Molar Volume: 132.455 cm3; (16)Polarizability: 18.266×10-24cm3; (17)Surface Tension: 54.1199989318848 dyne/cm; (18)Density: 2.144 g/cm3; (19)Flash Point: 146.692 °C; (20)Enthalpy of Vaporization: 59.172 kJ/mol; (21)Boiling Point: 318.944 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(cc(I)c(F)c1)C(=O)O
(2)Std. InChI: InChI=1S/C7H3F2IO2/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2H,(H,11,12)
(3)Std. InChIKey: OSBABFNFGBPWGL-UHFFFAOYSA-N