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| CAS No.: | 914100-41-7 |
|---|---|
| Name: | 2,3-difluoro-1-iodo-4-methylbenzene |
| Molecular Structure: | |
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| Formula: | C7H5F2I |
| Molecular Weight: | 254.018 |
| Synonyms: | benzene, 2,3-difluoro-1-iodo-4-methyl-; |
| Density: | 1.865 g/cm3 |
| Boiling Point: | 209.1 °C at 760 mmHg |
| Flash Point: | 80.9 °C |
| PSA: | 0.00000 |
| LogP: | 2.87780 |
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- Total:29 Page 1 of 1 1
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Specification
The 2,3-Difluoro-1-iodo-4-methylbenzene with the CAS number 914100-41-7 is also called benzene, 2,3-difluoro-1-iodo-4-methyl-. Its molecular formula is C7H5F2I. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 2,3-Difluoro-1-iodo-4-methylbenzene are: (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.64; (4)ACD/LogD (pH 7.4): 3.64; (5)ACD/BCF (pH 5.5): 345.39; (6)ACD/BCF (pH 7.4): 345.39; (7)ACD/KOC (pH 5.5): 2283.09; (8)ACD/KOC (pH 7.4): 2283.09; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.558; (13)Molar Refractivity: 43.97 cm3; (14)Molar Volume: 136.2 cm3; (15)Polarizability: 17.43×10-24cm3; (16)Surface Tension: 36.5 dyne/cm; (17)Enthalpy of Vaporization: 42.71 kJ/mol; (18)Vapour Pressure: 0.299 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(C)ccc(I)c1F
(2)InChI: InChI=1/C7H5F2I/c1-4-2-3-5(10)7(9)6(4)8/h2-3H,1H3
(3)InChIKey: QKRIGLBQQDSLLN-UHFFFAOYAC