Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Bromo-3-(trifluoromethyl)benzaldehyde |
EINECS | N/A |
CAS No. | 34328-47-7 | Density | 1.678 g/cm3 |
PSA | 17.07000 | LogP | 3.28040 |
Solubility | N/A | Melting Point |
51-54℃ |
Formula | C8H4BrF3O | Boiling Point | 236.521 °C at 760 mmHg |
Molecular Weight | 253.018 | Flash Point | 96.845 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
m-Tolualdehyde,4-bromo-a,a,a-trifluoro- (8CI);3-(Trifluoromethyl)-4-bromobenzaldehyde; |
Article Data | 3 |
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 × 10-24 cm3; (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