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Benzene,4-(bromomethyl)-2-fluoro-1-(trifluoromethyl)-

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Name

Benzene,4-(bromomethyl)-2-fluoro-1-(trifluoromethyl)-

EINECS -0
CAS No. 213203-65-7 Density 1.64 g/cm3
PSA 0.00000 LogP 3.73940
Solubility N/A Melting Point 25-27 °C
Formula C8H5BrF4 Boiling Point 206.8 °C at 760 mmHg
Molecular Weight 257.025 Flash Point 102.2 °C
Transport Information UN 1760 Appearance N/A
Safety 26-36/37/39 Risk Codes 34-36/37/38
Molecular Structure Molecular Structure of 213203-65-7 (3-FLUORO-4-(TRIFLUOROMETHYL)BENZYL BROMIDE) Hazard Symbols CorrosiveC
Synonyms

3-Fluoro-4-(trifluoromethyl)benzyl bromide;

Article Data 3

Benzene,4-(bromomethyl)-2-fluoro-1-(trifluoromethyl)- Specification

The Benzene, 4-(bromomethyl)-2-fluoro-1-(trifluoromethyl)-, with the CAS registry number of 213203-65-7, is also known as 3-Fluoro-4-(trifluoromethyl)benzyl bromide. This chemical's molecular formula is C8H5BrF4 and molecular weight is 257.02. What's more, its IUPAC name is 4-(Bromomethyl)-2-fluoro-1-(trifluoromethyl)benzene. In addition, it must be stored in airtight containers and placed in a dry, cool, ventilated place. Meanwhile, it should be kept away from oxidant, water and alkali. 

Physical properties about Benzene, 4-(bromomethyl)-2-fluoro-1-(trifluoromethyl)- are: (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: 17.39×10-24 cm3; (17)Surface Tension: 28 dyne/cm; (18)Density: 1.64 g/cm3; (19)Flash Point: 102.2 °C; (20)Enthalpy of Vaporization: 42.5 kJ/mol; (21)Boiling Point: 206.8 °C at 760 mmHg; (22)Vapour Pressure: 0.334 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. Besides, it may cause burns and destroy living tissue on contact. What’s more, this chemical is corrosive and lachrymatory. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following data into molecular structure:
(1) SMILES: FC(F)(F)c1ccc(cc1F)CBr
(2) InChI: InChI=1/C8H5BrF4/c9-4-5-1-2-6(7(10)3-5)8(11,12)13/h1-3H,4H2
(3) InChIKey: MOVSRIIBGRAUAF-UHFFFAOYAA

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