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| CAS No.: | 90381-07-0 |
|---|---|
| Name: | 5-CHLORO-2-(TRIFLUOROMETHYL)BENZALDEHYDE |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C8H4ClF3O |
| Molecular Weight: | 208.567 |
| Synonyms: | 5-Chloro-2-(trifluoromethyl)benzaldehyde; |
| Density: | 1.423g/cm3 |
| Boiling Point: | 225.8 °C at 760 mmHg |
| Flash Point: | 90.4 °C |
| Risk Codes: | 22-36-43 |
| Safety: | 26-36/37 |
| PSA: | 17.07000 |
| LogP: | 3.17130 |
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Specification
The Benzaldehyde,5-chloro-2-(trifluoromethyl)-, with CAS registry number 90381-07-0, belongs to the following product category: Benzaldehyde. It has the systematic name of 5-chloro-2-(trifluoromethyl)benzaldehyde. And the chemical formula of this chemical is C8H4ClF3O.
Physical properties of Benzaldehyde,5-chloro-2-(trifluoromethyl)-: (1)ACD/LogP: 3.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.3; (4)ACD/LogD (pH 7.4): 3.3; (5)ACD/BCF (pH 5.5): 189.41; (6)ACD/BCF (pH 7.4): 189.41; (7)ACD/KOC (pH 5.5): 1485.17; (8)ACD/KOC (pH 7.4): 1485.17; (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: 1.496; (14)Molar Refractivity: 42.88 cm3; (15)Molar Volume: 146.5 cm3; (16)Polarizability: 16.99×10-24cm3; (17)Surface Tension: 30.8 dyne/cm; (18)Enthalpy of Vaporization: 46.23 kJ/mol; (19)Vapour Pressure: 0.0847 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccc(Cl)cc1C=O
(2)InChI: InChI=1/C8H4ClF3O/c9-6-1-2-7(8(10,11)12)5(3-6)4-13/h1-4H
(3)InChIKey: CVRLMVFONQYBOC-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C8H4ClF3O/c9-6-1-2-7(8(10,11)12)5(3-6)4-13/h1-4H
(5)Std. InChIKey: CVRLMVFONQYBOC-UHFFFAOYSA-N