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2-Iodo-3-fluoronitrobenzene

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Name

2-Iodo-3-fluoronitrobenzene

EINECS N/A
CAS No. 122455-36-1 Density 2.093 g/cm3
PSA 45.82000 LogP 2.86170
Solubility N/A Melting Point N/A
Formula C6H3FINO2 Boiling Point 283.136 °C at 760 mmHg
Molecular Weight 266.998 Flash Point 125.036 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 122455-36-1 (2-IODO-3-FLUORONITROBENZENE) Hazard Symbols N/A
Synonyms

2-Iodo-3-fluoronitrobenzene;1-fluoro-2-iodo-3-nitrobenzene;benzene, 1-fluoro-2-iodo-3-nitro-;

Article Data 8

2-Iodo-3-fluoronitrobenzene Specification

The Benzene,1-fluoro-2-iodo-3-nitro-, with the CAS registry number 122455-36-1, has the systematic name of 1-fluoro-2-iodo-3-nitrobenzene. It is a kind of organics, and should be stored in the dry and cool environment. The molecular formula of the chemical is C6H3FINO2.

The characteristics of Benzene,1-fluoro-2-iodo-3-nitro- are as followings: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 216; (6)ACD/BCF (pH 7.4): 216; (7)ACD/KOC (pH 5.5): 1634; (8)ACD/KOC (pH 7.4): 1634; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å2; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 45.699 cm3; (15)Molar Volume: 127.558 cm3; (16)Polarizability: 18.116×10-24cm3; (17)Surface Tension: 53.818 dyne/cm; (18)Density: 2.093 g/cm3; (19)Flash Point: 125.036 °C; (20)Enthalpy of Vaporization: 50.108 kJ/mol; (21)Boiling Point: 283.136 °C at 760 mmHg; (22)Vapour Pressure: 0.006 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc(c(c(c1)F)I)N(=O)=O
(2)InChI: InChI=1/C6H3FINO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H
(3)InChIKey: XADPCRFTWLAXEV-UHFFFAOYAY

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