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Name |
Formamide,N-[4-(trifluoromethyl)phenyl]- |
EINECS | N/A |
CAS No. | 74702-40-2 | Density | 1.353 g/cm3 |
PSA | 29.10000 | LogP | 2.98260 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H6F3NO | Boiling Point | 275.3 °C at 760 mmHg |
Molecular Weight | 189.137 | Flash Point | 120.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-(Trifluoromethyl)formanilide;N-[4-(Trifluoromethyl)phenyl]formamide;NSC 403005;NSC 403006; |
Article Data | 20 |
The Formamide, N-[4-(trifluoromethyl)phenyl]-, with the CAS registry number 74702-40-2, is also known as 4-(Trifluoromethyl)formanilide. This chemical's molecular formula is C8H6F3NO and molecular weight is 189.1345. What's more, its IUPAC name is N-[4-(Trifluoromethyl)phenyl]formamide.
Physical properties about Formamide, N-[4-(trifluoromethyl)phenyl]- are: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.16; (4)ACD/LogD (pH 7.4): 2.16; (5)ACD/BCF (pH 5.5): 25.87; (6)ACD/BCF (pH 7.4): 25.87; (7)ACD/KOC (pH 5.5): 357.23; (8)ACD/KOC (pH 7.4): 357.23; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 41.02 cm3; (15)Molar Volume: 139.7 cm3; (16)Polarizability: 16.26×10-24 cm3; (17)Surface Tension: 31.9 dyne/cm; (18)Density: 1.353 g/cm3; (19)Flash Point: 120.3 °C; (20)Enthalpy of Vaporization: 51.37 kJ/mol; (21)Boiling Point: 275.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00515 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=CNc1ccc(cc1)C(F)(F)F
(2) InChI: InChI=1/C8H6F3NO/c9-8(10,11)6-1-3-7(4-2-6)12-5-13/h1-5H,(H,12,13)
(3) InChIKey: VBKNPSYHKKJAFB-UHFFFAOYAV