4-Bromo-2-(trifluoromethyl)benzaldehyde supplier

Name
4-BROMO-2-(TRIFLUOROMETHYL)BENZALDEHYDE
EINECS
CAS No. 861928-27-0
Article Data11
CAS DataBase
Density 1.678 g/cm³
Solubility Sparingly soluble in water (0.083 g/L) (25°C).
Melting Point 48-50 ºC
Formula C₈H₄BrF₃O
Boiling Point 243.128 °C at 760 mmHg
Molecular Weight 253.018
Flash Point 100.84 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Bromo-2-(trifluoromethyl)benzaldehyde;benzaldehyde, 4-bromo-2-(trifluoromethyl)-;
PSA
LogP

4-Bromo-2-(trifluoromethyl)benzaldehyde Specification

The 4-Bromo-2-(trifluoromethyl)benzaldehyde, with the CAS registry number 861928-27-0, is also called benzaldehyde, 4-bromo-2-(trifluoromethyl)-. It is a kind of air sensitive chemical, so it should be stored in the sealed containers which is full of inert gas, and it also should keep cool and dry. The molecular formula of the chemical is C₈H₄BrF₃O.

The characteristics of 4-Bromo-2-(trifluoromethyl)benzaldehyde are as followings: (1)ACD/LogP: 2.41; (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): 170; (6)ACD/BCF (pH 7.4): 170; (7)ACD/KOC (pH 5.5): 1372; (8)ACD/KOC (pH 7.4): 1372; (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: 100.84 °C; (20)Enthalpy of Vaporization: 48.013 kJ/mol; (21)Boiling Point: 243.128 °C at 760 mmHg; (22)Vapour Pressure: 0.033 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc1ccc(Br)cc1C(F)(F)F
(2)InChI: InChI=1/C8H4BrF3O/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-4H
(3)InChIKey: PROPHDFGNNBHJX-UHFFFAOYAZ

Product Name

4-BROMO-2-(TRIFLUOROMETHYL)BENZALDEHYDE

4-Bromo-2-(trifluoromethyl)benzaldehyde Specification

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