Name: 2,3,5-TRIFLUOROBENZYL BROMIDE
SKU: 226717-83-5

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Basic Information

Molecular Structure:
CAS No.:	226717-83-5
Name:	2,3,5-TRIFLUOROBENZYL BROMIDE
Article Data:	1

Formula:	C₇H₄BrF₃
Molecular Weight:	225.008
Synonyms:	1-(Bromomethyl)-2,3,5-trifluorobenzene;2,3,5-Trifluorobenzyl bromide;
Density:	1.71 g/cm³
Boiling Point:	181.1 °C at 760 mmHg
Flash Point:	69.1 °C
Hazard Symbols:	C
Risk Codes:	34-36
Safety:	26-36/37/39-45
PSA:	0.00000
LogP:	2.99880

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Specification

The Benzene,1-(bromomethyl)-2,3,5-trifluoro-, with CAS registry number 226717-83-5, has the systematic name of 1-(bromomethyl)-2,3,5-trifluorobenzene. Besides this, it is also called 2,3,5-Trifluorobenzyl bromide. And the chemical formula of this chemical is C₇H₄BrF₃.

Physical properties of Benzene,1-(bromomethyl)-2,3,5-trifluoro-: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.09; (4)ACD/LogD (pH 7.4): 3.09; (5)ACD/BCF (pH 5.5): 131.21; (6)ACD/BCF (pH 7.4): 131.21; (7)ACD/KOC (pH 5.5): 1141.94; (8)ACD/KOC (pH 7.4): 1141.94; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.502; (14)Molar Refractivity: 38.88 cm³; (15)Molar Volume: 131.5 cm³; (16)Polarizability: 15.41×10^-24cm³; (17)Surface Tension: 33.9 dyne/cm; (18)Density: 1.71 g/cm³; (19)Flash Point: 69.1 °C; (20)Enthalpy of Vaporization: 40.03 kJ/mol; (21)Boiling Point: 181.1 °C at 760 mmHg; (22)Vapour Pressure: 1.18 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzene,1-(bromomethyl)-2,3,5-trifluoro- irritates to eyes, respiratory system and skin. And it may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(cc(F)cc1F)CBr
(2)InChI: InChI=1/C7H4BrF3/c8-3-4-1-5(9)2-6(10)7(4)11/h1-2H,3H2
(3)InChIKey: QPMAEHBAXJSICW-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C7H4BrF3/c8-3-4-1-5(9)2-6(10)7(4)11/h1-2H,3H2
(5)Std. InChIKey: QPMAEHBAXJSICW-UHFFFAOYSA-N