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CAS No.: | 292621-60-4 |
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Name: | 1-(CHLOROMETHYL)-2,3,4-TRIFLUOROBENZENE |
Molecular Structure: | |
Formula: | C7H4ClF3 |
Molecular Weight: | 180.55 |
Synonyms: | 2,3,4-Trifluorobenzyl chloride;1-(Chloromethyl)-2,3,4-trifluorobenzene; |
Density: | 1.391 g/cm3 |
Boiling Point: | 177.1 °C at 760 mmHg |
Flash Point: | 64.6 °C |
PSA: | 0.00000 |
LogP: | 2.84270 |
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The Benzene,1-(chloromethyl)-2,3,4-trifluoro-, with the CAS registry number 292621-60-4, is also known as 2,3,4-Trifluorobenzyl chloride. This chemical's molecular formula is C7H4ClF3 and molecular weight is 180.55. What's more, its IUPAC name is 1-(chloromethyl)-2,3,4-trifluorobenzene.
Physical properties of Benzene,1-(chloromethyl)-2,3,4-trifluoro- are: (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: 64.6 °C; (20)Enthalpy of Vaporization: 39.64 kJ/mol; (21)Boiling Point: 177.1 °C at 760 mmHg; (22)Vapour Pressure: 1.42 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(CCl)c(F)c1F
(2)Std. InChI: InChI=1S/C7H4ClF3/c8-3-4-1-2-5(9)7(11)6(4)10/h1-2H,3H2
(3)Std. InChIKey: RLWBYURQFNYMIW-UHFFFAOYSA-N