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Benzaldehyde,2-bromo-4-(trifluoromethyl)-

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Name

Benzaldehyde,2-bromo-4-(trifluoromethyl)-

EINECS 285-677-2
CAS No. 85118-24-7 Density 1.677 g/cm3
PSA 17.07000 LogP 3.28040
Solubility N/A Melting Point N/A
Formula C8H4BrF3O Boiling Point 230 °C at 760 mmHg
Molecular Weight 253.018 Flash Point 92.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 85118-24-7 (2-bromo-4-(trifluoromethyl)benzaldehyde) Hazard Symbols N/A
Synonyms

2-Bromo-4-(trifluoromethyl)benzaldehyde;

Article Data 2

Benzaldehyde,2-bromo-4-(trifluoromethyl)- Specification

The Benzaldehyde,2-bromo-4-(trifluoromethyl)- is an organic compound with the formula C8H4BrF3O. Its CAS registry number is 85118-24-7. Its EINECS registry number is 285-677-2. The IUPAC name of this chemical is 2-Bromo-4-(trifluoromethyl)benzaldehyde.

Physical properties about Benzaldehyde,2-bromo-4-(trifluoromethyl)- are: (1)ACD/LogP: 3.11; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.11; (4)ACD/LogD (pH 7.4): 3.11; (5)ACD/BCF (pH 5.5): 136.81; (6)ACD/BCF (pH 7.4): 136.81; (7)ACD/KOC (pH 5.5): 1176.63; (8)ACD/KOC (pH 7.4): 1176.63; (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: 1.517; (14)Molar Refractivity: 45.67 cm3; (15)Molar Volume: 150.7 cm3; (16)Polarizability: 18.1×10-24 cm3; (17)Surface Tension: 32.4 dyne/cm; (18)Density: 1.677 g/cm3; (19)Flash Point: 92.9 °C; (20)Enthalpy of Vaporization: 46.66 kJ/mol; (21)Boiling Point: 230 °C at 760 mmHg; (22)Vapour Pressure: 0.0676 mmHg at 25 °C.

Uses of 2-Bromo-4-(trifluoromethyl)benzaldehyde: it can be used to produce other chemicals. For example, it is used to produce ethyl 3-[2-bromo-4-(trifluoromethyl)phenyl]-2-cyanoacrylate with cyanoacetic acid ethyl ester. The reaction occurs with reagent piperidine and other condition of heating for 30 min. The solvent of this reaction is toluene. The yield is 82 %. The reaction equation is as followed:

2-Bromo-4-(trifluoromethyl)benzaldehyde can be used to produce ethyl 3-[2-bromo-4-(trifluoromethyl)phenyl]-2-cyanoacrylate.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1ccc(cc1Br)C(F)(F)F
(2) InChI: InChI=1/C8H4BrF3O/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-4H
(3) InChIKey: CUKSTNNYAHZPRM-UHFFFAOYAG

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