CAS No.200004-38-2,4,4',4''-TRIFLUOROTRITYL BROMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	200004-38-2
Name:	4,4',4''-TRIFLUOROTRITYL BROMIDE

Formula:	C₁₉H₁₂BrF₃
Molecular Weight:	377.2
Synonyms:	1,1',1''-(Bromomethanetriyl)tris(4-fluorobenzene);
Density:	1.458 g/cm³
Melting Point:	109 °C
Boiling Point:	385.6 °C at 760 mmHg
Flash Point:	236.3 °C
Hazard Symbols:	Xi
Risk Codes:	34
Safety:	36/37/39
PSA:	0.00000
LogP:	5.79070

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Specification

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