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2,3-Difluoro-1-iodo-4-methylbenzene

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Name

2,3-Difluoro-1-iodo-4-methylbenzene

EINECS N/A
CAS No. 914100-41-7 Density 1.865 g/cm3
PSA 0.00000 LogP 2.87780
Solubility N/A Melting Point N/A
Formula C7H5F2I Boiling Point 209.1 °C at 760 mmHg
Molecular Weight 254.018 Flash Point 80.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 914100-41-7 (2,3-difluoro-1-iodo-4-methylbenzene) Hazard Symbols N/A
Synonyms

benzene, 2,3-difluoro-1-iodo-4-methyl-;

 

2,3-Difluoro-1-iodo-4-methylbenzene 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

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