Basic Information | Post buying leads | Suppliers | Cas Database |
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 | Hazard Symbols | Xn | |
Synonyms |
3-CHLORO-5-(TRIFLUOROMETHYL)BENZALDEHYDE |
Article Data | 2 |
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