Benzene,1-fluoro-3-(iodomethyl)- supplier

Name
5-FLUORO-2-IODOTOLUENE
EINECS
CAS No. 28490-56-4
Article Data4
CAS DataBase
Density 1.788 g/cm³
Solubility
Melting Point
Formula C₇H₆FI
Boiling Point 206.8 °C at 760 mmHg
Molecular Weight 236.028
Flash Point 82.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Toluene,m-fluoro-a-iodo- (8CI);3-Fluorobenzyliodide;m-Fluoro-a-iodotoluene;m-Fluorobenzyl iodide;4-fluoro-1-iodo-2-methylbenzene;Benzene, 4-fluoro-1-iodo-2-methyl-;
PSA 0.00000
LogP 2.73870

Benzene,1-fluoro-3-(iodomethyl)- Specification

The Benzene,1-fluoro-3-(iodomethyl)-, with the CAS registry number 28490-56-4, has the systematic name of 4-fluoro-1-iodo-2-methylbenzene. It is a kind of irritant chemical, and belongs to the following product categories: Miscellaneous; Fluorine Compounds; Iodine Compounds. And the molecular formula of the chemical is C₇H₆FI.

The characteristics of Benzene,1-fluoro-3-(iodomethyl)- are as followings: (1)ACD/LogP: 3.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.69; (4)ACD/LogD (pH 7.4): 3.69; (5)ACD/BCF (pH 5.5): 375.84; (6)ACD/BCF (pH 7.4): 375.84; (7)ACD/KOC (pH 5.5): 2425.44; (8)ACD/KOC (pH 7.4): 2425.44; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 43.97 cm³; (15)Molar Volume: 131.9 cm³; (16)Polarizability: 17.43×10^-24cm³; (17)Surface Tension: 37.9 dyne/cm; (18)Density: 1.788 g/cm³; (19)Flash Point: 82.1 °C; (20)Enthalpy of Vaporization: 42.5 kJ/mol; (21)Boiling Point: 206.8 °C at 760 mmHg; (22)Vapour Pressure: 0.334 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1ccc(I)c(c1)C
(2)InChI: InChI=1/C7H6FI/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
(3)InChIKey: VWBMDRDQJLUMMS-UHFFFAOYAA

Product Name

5-FLUORO-2-IODOTOLUENE

Benzene,1-fluoro-3-(iodomethyl)- Specification

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