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Name |
Benzene,1,1',1''-(bromomethylidyne)tris[4-fluoro- |
EINECS | N/A |
CAS No. | 200004-38-2 | Density | 1.458 g/cm3 |
PSA | 0.00000 | LogP | 5.79070 |
Solubility | N/A | Melting Point |
109 °C |
Formula | C19H12BrF3 | Boiling Point | 385.6 °C at 760 mmHg |
Molecular Weight | 377.2 | Flash Point | 236.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 36/37/39 | Risk Codes | 34 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
1,1',1''-(Bromomethanetriyl)tris(4-fluorobenzene); |
The Benzene,1,1',1''-(bromomethylidyne)tris[4-fluoro-, with the CAS registry number 200004-38-2, is also known as Tris(p-fluorophenyl)methyl bromide. This chemical's molecular formula is C19H12BrF3 and molecular weight is 377.2. What's more, its systematic name is called 1,1',1''-(Bromomethanetriyl)tris(4-fluorobenzene).
Physical properties about Benzene,1,1',1''-(bromomethylidyne)tris[4-fluoro- are: (1) ACD/LogP: 6.66; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 6.66; (4) ACD/LogD (pH 7.4): 6.66; (5) ACD/BCF (pH 5.5): 68057.98; (6) ACD/BCF (pH 7.4): 68057.98; (7) ACD/KOC (pH 5.5): 100220.27; (8) ACD/KOC (pH 7.4): 100220.27; (9) #H bond acceptors: 0; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 0 Å2; (13) Index of Refraction: 1.589; (14) Molar Refractivity: 87.25 cm3; (15) Molar Volume: 258.5 cm3; (16) Surface Tension: 41.9 dyne/cm; (17) Density: 1.458 g/cm3; (18) Flash Point: 236.3 °C; (19) Enthalpy of Vaporization: 60.96 kJ/mol; (20) Boiling Point: 385.6 °C at 760 mmHg; (21) Vapour Pressure: 8.37E-06 mmHg at 25 °C; (22) Melting Point: 109 °C.
When you are dealing with this chemical, you should be very careful. This chemical may cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(cc1)C(Br)(c2ccc(F)cc2)c3ccc(F)cc3
(2) InChI: InChI=1/C19H12BrF3/c20-19(13-1-7-16(21)8-2-13,14-3-9-17(22)10-4-14)15-5-11-18(23)12-6-15/h1-12H
(3) InChIKey: DYMCGODRYMABQY-UHFFFAOYAT