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4-Bromo-2-(trifluoromethoxy)benzaldehyde

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Name

4-Bromo-2-(trifluoromethoxy)benzaldehyde

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

4-Bromo-2-(trifluoromethoxy)benzaldehyde

Article Data 17

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

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