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Name |
2-Fluoro-4-iodobenzoic acid |
EINECS | N/A |
CAS No. | 124700-40-9 | Density | 2.074 g/cm3 |
PSA | 37.30000 | LogP | 2.12850 |
Solubility | N/A | Melting Point |
213-215℃ |
Formula | C7H4FIO2 | Boiling Point | 305.999 °C at 760 mmHg |
Molecular Weight | 266.01 | Flash Point | 138.863 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Fluoro-4-iodobenzoicacid; |
Article Data | 11 |
The Benzoic acid,2-fluoro-4-iodo-, with the CAS registry number 124700-40-9, has the systematic name of 2-fluoro-4-iodobenzoic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C7H4FIO2.
The characteristics of Benzoic acid,2-fluoro-4-iodo- are as followings: (1)ACD/LogP: 2.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.65; (4)ACD/LogD (pH 7.4): -0.13; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.62; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 46.08 cm3; (15)Molar Volume: 128.2 cm3; (16)Polarizability: 18.26×10-24cm3; (17)Surface Tension: 56.8 dyne/cm; (18)Density: 2.074 g/cm3; (19)Flash Point: 138.9 °C; (20)Enthalpy of Vaporization: 57.7 kJ/mol; (21)Boiling Point: 306 °C at 760 mmHg; (22)Vapour Pressure: 0.000346 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1c(F)cc(I)cc1
(2)InChI: InChI=1/C7H4FIO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H,10,11)
(3)InChIKey: OLQSJAFBRCOGPQ-UHFFFAOYAP