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4-Bromo-2-fluorobenzotrifluoride

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Name

4-Bromo-2-fluorobenzotrifluoride

EINECS 642-564-6
CAS No. 142808-15-9 Density 1.695 g/cm3
PSA 0.00000 LogP 3.60700
Solubility N/A Melting Point N/A
Formula C7H3BrF4 Boiling Point 187.2 °C at 760 mmHg
Molecular Weight 242.998 Flash Point 86.9 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38-20/21/22
Molecular Structure Molecular Structure of 142808-15-9 (4-Bromo-2-fluorobenzotrifluoride) Hazard Symbols IrritantXi,HarmfulXn
Synonyms

1-Bromo-3-fluoro-4-(trifluoromethyl)benzene;4-Bromo-2-fluoro-1-trifluoromethylbenzene;2-Fluoro-4-bromobenzotrifluoride;

 

4-Bromo-2-fluorobenzotrifluoride Specification

The Benzene,4-bromo-2-fluoro-1-(trifluoromethyl)-, with the CAS registry number 142808-15-9, is also known as 4-Bromo-2-fluorobenzotrifluoride. It belongs to the product categories of Trifluoromethylbenzene serise; Aromatic Halides (substituted). This chemical's molecular formula is C7H3BrF4 and formula weight is 243.00. What's more, its IUPAC name is 4-bromo-2-fluoro-1-(trifluoromethyl)benzene.

Physical properties of Benzene,4-bromo-2-fluoro-1-(trifluoromethyl)- are: (1)ACD/LogP: 3.38; (2)ACD/LogD (pH 5.5): 3.38; (3)ACD/LogD (pH 7.4): 3.38; (4)ACD/BCF (pH 5.5): 216.89; (5)ACD/BCF (pH 7.4): 216.89; (6)ACD/KOC (pH 5.5): 1636.4; (7)ACD/KOC (pH 7.4): 1636.4; (8)Index of Refraction: 1.455; (9)Molar Refractivity: 38.91 cm3; (10)Molar Volume: 143.3 cm3; (11)Surface Tension: 25.4 dyne/cm; (12)Density: 1.695 g/cm3; (13)Flash Point: 86.9 °C; (14)Enthalpy of Vaporization: 40.61 kJ/mol; (15)Boiling Point: 187.2 °C at 760 mmHg; (16)Vapour Pressure: 0.876 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you should wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1Br)F)C(F)(F)F
(2)InChI: InChI=1S/C7H3BrF4/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H
(3)InChIKey: OEPBVXQEVBURGC-UHFFFAOYSA-N

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