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3-Chloro-5-(trifluoromethyl)benzaldehyde

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Name

3-Chloro-5-(trifluoromethyl)benzaldehyde

EINECS N/A
CAS No. 477535-43-6 Density 1.423 g/cm3
PSA 17.07000 LogP 3.17130
Solubility N/A Melting Point N/A
Formula C8H4ClF3O Boiling Point 197.3 °C at 760 mmHg
Molecular Weight 208.567 Flash Point 73.1 °C
Transport Information N/A Appearance N/A
Safety 26-36/37 Risk Codes 22-36-43
Molecular Structure Molecular Structure of 477535-43-6 (3-Chloro-5-(trifluoromethyl)benzaldehyde) Hazard Symbols Xn
Synonyms

3-CHLORO-5-(TRIFLUOROMETHYL)BENZALDEHYDE

Article Data 2

3-Chloro-5-(trifluoromethyl)benzaldehyde Specification

This chemical is called 3-Chloro-5-(trifluoromethyl)benzaldehyde, and it can also be named as Benzaldehyde, 3-chloro-5-(trifluoromethyl)-. With the molecular formula of C8H4ClF3O, its molecular weight is 208.56. The CAS registry number of this chemical is 477535-43-6.

Other characteristics of the 3-Chloro-5-(trifluoromethyl)benzaldehyde can be summarised as followings: (1)ACD/LogP: 3.28; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.496; (8)Molar Refractivity: 42.88 cm3; (9)Molar Volume: 146.5 cm3; (10)Polarizability: 16.99×10-24cm3; (11)Surface Tension: 30.8 dyne/cm; (12)Density: 1.423 g/cm3; (13)Flash Point: 73.1 °C; (14)Enthalpy of Vaporization: 43.35 kJ/mol; (15)Boiling Point: 197.3 °C at 760 mmHg; (16)Vapour Pressure: 0.381 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(F)c1cc(cc(Cl)c1)C=O
2.InChI: InChI=1/C8H4ClF3O/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-4H
3.InChIKey: NWSKKQLZBXTZTP-UHFFFAOYAI

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