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732306-27-3

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Basic Information
CAS No.: 732306-27-3
Name: 5-(chloromethyl)-1,2,3-trifluoro-Benzene
Molecular Structure:
Molecular Structure of 732306-27-3 (5-(chloromethyl)-1,2,3-trifluoro-Benzene)
Formula: C7H4ClF3
Molecular Weight: 180.557
Synonyms: 5-(chloromethyl)-1,2,3-trifluorobenzene;benzene, 5-(chloromethyl)-1,2,3-trifluoro-;3,4,5-Trifluorobenzyl Chloride;
EINECS: -0
Density: 1.391 g/cm3
Boiling Point: 174.1 °C at 760 mmHg
Flash Point: 63 °C
Solubility: Not miscible or difficult to mix in water.
PSA: 0.00000
LogP: 2.84270
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Specification

The Benzene,5-(chloromethyl)-1,2,3-trifluoro-, with the CAS registry number 732306-27-3, has the systematic name and IUPAC name of 5-(chloromethyl)-1,2,3-trifluorobenzene. And the molecular formula of the chemical is C7H4ClF3.

The characteristics of Benzene,5-(chloromethyl)-1,2,3-trifluoro- are as followings: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 2.5; (5)ACD/BCF (pH 5.5): 46.74; (6)ACD/BCF (pH 7.4): 46.74; (7)ACD/KOC (pH 5.5): 545.49; (8)ACD/KOC (pH 7.4): 545.49; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.466; (14)Molar Refractivity: 35.99 cm3; (15)Molar Volume: 129.7 cm3; (16)Polarizability: 14.27×10-24cm3; (17)Surface Tension: 30 dyne/cm; (18)Density: 1.391 g/cm3; (19)Flash Point: 63 °C; (20)Enthalpy of Vaporization: 39.36 kJ/mol; (21)Boiling Point: 174.1 °C at 760 mmHg; (22)Vapour Pressure: 1.64 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1cc(CCl)cc(F)c1F
(2)InChI: InChI=1/C7H4ClF3/c8-3-4-1-5(9)7(11)6(10)2-4/h1-2H,3H2
(3)InChIKey: ALUFGPFDDJIQCW-UHFFFAOYAW