CAS No.34328-47-7,4-BROMO-3-TRIFLUOROMETHYL-BENZALDEHYDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	34328-47-7
Name:	4-BROMO-3-TRIFLUOROMETHYL-BENZALDEHYDE
Article Data:	3

Formula:	C₈H₄BrF₃O
Molecular Weight:	253.018
Synonyms:	m-Tolualdehyde,4-bromo-a,a,a-trifluoro- (8CI);3-(Trifluoromethyl)-4-bromobenzaldehyde;
Density:	1.678 g/cm³
Melting Point:	51-54℃
Boiling Point:	236.521 °C at 760 mmHg
Flash Point:	96.845 °C
PSA:	17.07000
LogP:	3.28040

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Specification

The Benzaldehyde,4-bromo-3-(trifluoromethyl)-, with the CAS registry number 34328-47-7, is also known as 4-Bromo-3-trifluoromethyl-benzaldehyde. This chemical's molecular formula is C₈H₄BrF₃O and molecular weight is 253.02. What's more, both its IUPAC name and systematic name are the same which is called 4-bromo-3-(trifluoromethyl)benzaldehyde.

Physical properties about this chemical are: (1)ACD/LogP: 3.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 186; (6)ACD/BCF (pH 7.4): 186; (7)ACD/KOC (pH 5.5): 1466; (8)ACD/KOC (pH 7.4): 1466; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 45.676 cm³; (15)Molar Volume: 150.795 cm³; (16)Polarizability: 18.107 × 10^-24cm³; (17)Surface Tension: 32.496 dyne/cm; (18)Density: 1.678 g/cm³; (19)Flash Point: 96.845 °C; (20)Enthalpy of Vaporization: 47.332 kJ/mol; (21)Boiling Point: 236.521 °C at 760 mmHg; (22)Vapour Pressure: 0.047 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(ccc1Br)C=O
(2)InChI: InChI=1/C8H4BrF3O/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-4H
(3)InChIKey: JPNOSHZBKVMMSB-UHFFFAOYAL