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5-Fluoro-2-(trifluoromethyl)benzyl bromide

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Name

5-Fluoro-2-(trifluoromethyl)benzyl bromide

EINECS N/A
CAS No. 239135-48-9 Density 1.64 g/cm3
PSA 0.00000 LogP 3.73940
Solubility N/A Melting Point N/A
Formula C8H5BrF4 Boiling Point 184.2 °C at 760 mmHg
Molecular Weight 257.02 Flash Point 84.5 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 34-36/37/38
Molecular Structure Molecular Structure of 239135-48-9 (5-Fluoro-2-(trifluoromethyl)benzyl bromide) Hazard Symbols CorrosiveC
Synonyms

2-Bromomethyl-4-fluoro-1-trifluoromethylbenzene;2-Trifluoromethyl-5-fluorobenzyl bromide;3-Fluoro-6-(trifluoromethyl)benzylbromide;5-Fluoro-2-trifluoromethylbenzyl bromide;

 

5-Fluoro-2-(trifluoromethyl)benzyl bromide Specification

The Benzene,2-(bromomethyl)-4-fluoro-1-(trifluoromethyl)- is an organic compound with the formula C8H5BrF4. The IUPAC name of this chemical is 2-(bromomethyl)-4-fluoro-1-(trifluoromethyl)benzene. With the CAS registry number 239135-48-9, it is also named as 5-Fluoro-2-(trifluoromethyl)benzyl bromide. The product's category is Aromatic Halides (substituted).

Physical properties about Benzene,2-(bromomethyl)-4-fluoro-1-(trifluoromethyl)- are: (1)ACD/LogP: 3.66; (2)ACD/LogD (pH 5.5): 3.66; (3)ACD/LogD (pH 7.4): 3.66; (4)ACD/BCF (pH 5.5): 353.52; (5)ACD/BCF (pH 7.4): 353.52; (6)ACD/KOC (pH 5.5): 2321.46; (7)ACD/KOC (pH 7.4): 2321.46; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 0 Å2; (10)Index of Refraction: 1.472; (11)Molar Refractivity: 43.87 cm3; (12)Molar Volume: 156.6 cm3; (13)Polarizability: 17.39×10-24cm3; (14)Surface Tension: 28 dyne/cm; (15)Density: 1.64 g/cm3; (16)Flash Point: 84.5 °C; (17)Enthalpy of Vaporization: 40.32 kJ/mol; (18)Boiling Point: 184.2 °C at 760 mmHg; (19)Vapour Pressure: 1.01 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It can cause burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1c(cc(F)cc1)CBr
(2)InChI: InChI=1/C8H5BrF4/c9-4-5-3-6(10)1-2-7(5)8(11,12)13/h1-3H,4H2
(3)InChIKey: MQZWBTRGSDOAIO-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C8H5BrF4/c9-4-5-3-6(10)1-2-7(5)8(11,12)13/h1-3H,4H2
(5)Std. InChIKey: MQZWBTRGSDOAIO-UHFFFAOYSA-N

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