4-Bromo-2-(trifluoromethoxy)benzaldehyde supplier

Name
4-Bromo-2-(trifluoromethoxy)benzaldehyde
EINECS
CAS No. 220996-80-5
Article Data17
CAS DataBase
Density 1.706 g/cm³
Solubility
Melting Point
Formula C₈H₄BrF₃O₂
Boiling Point 244.2 °C at 760 mmHg
Molecular Weight 269.018
Flash Point 101.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Bromo-2-(trifluoromethoxy)benzaldehyde
PSA 26.30000
LogP 3.16020

4-Bromo-2-(trifluoromethoxy)benzaldehyde Specification

This chemical is called 4-Bromo-2-(trifluoromethoxy)benzaldehyde, and it can also be named as Benzaldehyde, 4-bromo-2-(trifluoromethoxy)-. With the molecular formula of C₈H₄BrF₃O₂, its molecular weight is 269.02. In addition, the CAS registry number of this chemical is 220996-80-5.

Other characteristics of the 4-Bromo-2-(trifluoromethoxy)benzaldehyde can be summarised as followings: (1)ACD/LogP: 3.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.8; (4)ACD/LogD (pH 7.4): 3.8; (5)ACD/BCF (pH 5.5): 456.91; (6)ACD/BCF (pH 7.4): 456.91; (7)ACD/KOC (pH 5.5): 2789.42; (8)ACD/KOC (pH 7.4): 2789.42; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 47.83 cm³; (15)Molar Volume: 157.6 cm³; (16)Polarizability: 18.96×10^-24cm³; (17)Surface Tension: 34.8 dyne/cm; (18)Density: 1.706 g/cm³; (19)Flash Point: 101.5 °C; (20)Enthalpy of Vaporization: 48.13 kJ/mol; (21)Boiling Point: 244.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0307 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccc(Br)cc1OC(F)(F)F
(2)InChI: InChI=1/C8H4BrF3O2/c9-6-2-1-5(4-13)7(3-6)14-8(10,11)12/h1-4H
(3)InChIKey: AXZVKHIUQLEMPJ-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H4BrF3O2/c9-6-2-1-5(4-13)7(3-6)14-8(10,11)12/h1-4H
(5)Std. InChIKey: AXZVKHIUQLEMPJ-UHFFFAOYSA-N

Product Name

4-Bromo-2-(trifluoromethoxy)benzaldehyde

4-Bromo-2-(trifluoromethoxy)benzaldehyde Specification

Related Products

Hot Products