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| CAS No.: | 477535-43-6 |
|---|---|
| Name: | 3-Chloro-5-(trifluoromethyl)benzaldehyde |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C8H4ClF3O |
| Molecular Weight: | 208.567 |
| Synonyms: | 3-CHLORO-5-(TRIFLUOROMETHYL)BENZALDEHYDE |
| Density: | 1.423 g/cm3 |
| Boiling Point: | 197.3 °C at 760 mmHg |
| Flash Point: | 73.1 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-36-43 |
| Safety: | 26-36/37 |
| PSA: | 17.07000 |
| LogP: | 3.17130 |
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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