2-Iodo-3-fluoronitrobenzene supplier

Name
2-IODO-3-FLUORONITROBENZENE
EINECS
CAS No. 122455-36-1
Article Data8
CAS DataBase
Density 2.093 g/cm³
Solubility
Melting Point
Formula C₆H₃FINO₂
Boiling Point 283.136 °C at 760 mmHg
Molecular Weight 266.998
Flash Point 125.036 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Iodo-3-fluoronitrobenzene;1-fluoro-2-iodo-3-nitrobenzene;benzene, 1-fluoro-2-iodo-3-nitro-;
PSA 45.82000
LogP 2.86170

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

Product Name

2-IODO-3-FLUORONITROBENZENE

2-Iodo-3-fluoronitrobenzene Specification

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