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2,3,5-Trifluorobenzylbromide

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Name

2,3,5-Trifluorobenzylbromide

EINECS N/A
CAS No. 226717-83-5 Density 1.71 g/cm3
PSA 0.00000 LogP 2.99880
Solubility N/A Melting Point N/A
Formula C7H4BrF3 Boiling Point 181.1 °C at 760 mmHg
Molecular Weight 225.008 Flash Point 69.1 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39-45 Risk Codes 34-36
Molecular Structure Molecular Structure of 226717-83-5 (2,3,5-TRIFLUOROBENZYL BROMIDE) Hazard Symbols CorrosiveC
Synonyms

1-(Bromomethyl)-2,3,5-trifluorobenzene;2,3,5-Trifluorobenzyl bromide;

Article Data 1

2,3,5-Trifluorobenzylbromide 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

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