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2-Fluoro-3-(trifluoromethyl)benzyl bromide

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Name

2-Fluoro-3-(trifluoromethyl)benzyl bromide

EINECS -0
CAS No. 184970-25-0 Density 1.641 g/cm3
PSA 0.00000 LogP 3.73940
Solubility N/A Melting Point 58-62 °C(lit.)
Formula C8H5BrF4 Boiling Point 199.423 °C at 760 mmHg
Molecular Weight 257.025 Flash Point 96.469 °C
Transport Information UN 3261 Appearance white to light yellow crystal powder
Safety 26-27-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 184970-25-0 (2-FLUORO-3-(TRIFLUOROMETHYL)BENZYL BROMIDE) Hazard Symbols CorrosiveC
Synonyms

1-Bromomethyl-2-fluoro-3-trifluoromethylbenzene;2-Fluoro-3-trifluoromethylbenzyl bromide;

 

2-Fluoro-3-(trifluoromethyl)benzyl bromide Specification

The Benzene,1-(bromomethyl)-2-fluoro-3-(trifluoromethyl)-, with CAS registry number 184970-25-0, belongs to the following product categories: (1)Fluoro-contained benzyl bromide series; (2)Aryl; (3)C8; (4)Halogenated Hydrocarbons. It has the systematic name of 1-(bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene. This chemical is a kind of white to light yellow crystal powder.

Physical properties of Benzene,1-(bromomethyl)-2-fluoro-3-(trifluoromethyl)-: (1)ACD/LogP: 3.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.57; (4)ACD/LogD (pH 7.4): 3.57; (5)ACD/BCF (pH 5.5): 301.86; (6)ACD/BCF (pH 7.4): 301.86; (7)ACD/KOC (pH 5.5): 2073.24; (8)ACD/KOC (pH 7.4): 2073.24; (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: 1.472; (14)Molar Refractivity: 43.87 cm3; (15)Molar Volume: 156.6 cm3; (16)Polarizability: 17.39×10-24cm3; (17)Surface Tension: 28 dyne/cm; (18)Enthalpy of Vaporization: 41.78 kJ/mol; (19)Vapour Pressure: 0.483 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzene,1-(bromomethyl)-2-fluoro-3-(trifluoromethyl)- 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. After use it, take off immediately all contaminated clothing. 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: BrCc1cccc(c1F)C(F)(F)F
(2)InChI: InChI=1/C8H5BrF4/c9-4-5-2-1-3-6(7(5)10)8(11,12)13/h1-3H,4H2
(3)InChIKey: QBEHXDXQUVMEQX-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C8H5BrF4/c9-4-5-2-1-3-6(7(5)10)8(11,12)13/h1-3H,4H2
(5)Std. InChIKey: QBEHXDXQUVMEQX-UHFFFAOYSA-N

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