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CAS No.: | 17515-77-4 |
---|---|
Name: | 2-(Bromomethyl)-5-(trifluoromethyl)furan |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C6H4BrF3O |
Molecular Weight: | 228.996 |
Synonyms: | 2-(3-FLUORO-PHENYL)-ETHANESULFONYL CHLORIDE;2-trifluoromethyl-5-bromomethyl furan;2-bromomethyl-5-trifluoromethylfuran;2-bromomethyl-5-trifluoromethyl-furane;2-(bromomethyl)-5-(trifluromethyl)furan; |
Density: | 1.693 g/cm3 |
Boiling Point: | 174.3 °C at 760 mmHg |
Flash Point: | 59.2 °C |
Hazard Symbols: | C |
Risk Codes: | 34-36/37/38 |
Safety: | 26-36/37/39-45 |
Transport Information: | UN 1760 |
PSA: | 13.14000 |
LogP: | 3.19330 |
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The IUPAC name of this chemical is 2-(Bromomethyl)-5-(trifluoromethyl)furan. With the CAS registry number 17515-77-4, it is also named as furan,2-(bromomethyl)-5-(trifluoromethyl)-. In addition, the molecular formula is C6H4BrF3O and the molecular weight is 228.99. It should be stored in a cool and dry place.
Physical properties about 2-(Bromomethyl)-5-(trifluoromethyl)furan are: (1)ACD/LogP: 2.65; (2)ACD/LogD (pH 5.5): 2.65; (3)ACD/LogD (pH 7.4): 2.65; (4)ACD/BCF (pH 5.5): 61.02; (5)ACD/BCF (pH 7.4): 61.02; (6)ACD/KOC (pH 5.5): 660.18; (7)ACD/KOC (pH 7.4): 660.18; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 13.14 Å2; (11)Index of Refraction: 1.447; (12)Molar Refractivity: 36.18 cm3; (13)Molar Volume: 135.2 cm3; (14)Polarizability: 14.34 ×10-24cm3; (15)Surface Tension: 26.7 dyne/cm; (16)Density: 1.693 g/cm3; (17)Flash Point: 59.2 °C; (18)Enthalpy of Vaporization: 39.37 kJ/mol; (19)Boiling Point: 174.3 °C at 760 mmHg; (20)Vapour Pressure: 1.63 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. It is irritating to eyes, respiratory system and skin. 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. And 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: FC(F)(F)c1oc(cc1)CBr
(2)Std. InChI: InChI=1S/C6H4BrF3O/c7-3-4-1-2-5(11-4)6(8,9)10/h1-2H,3H2
(3)Std. InChIKey: YNHVBNGRNNVEMD-UHFFFAOYSA-N