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Name |
Acetamide,2-cyano-N-[3-(trifluoromethyl)phenyl]- |
EINECS | N/A |
CAS No. | 1960-77-6 | Density | 1.375 g/cm3 |
PSA | 52.89000 | LogP | 2.63058 |
Solubility | N/A | Melting Point |
143-145 °C |
Formula | C10H7F3N2O | Boiling Point | 378.7 °C at 760 mmHg |
Molecular Weight | 228.174 | Flash Point | 182.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
Xi:Irritant; |
|
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
m-Acetotoluidide,2-cyano-a,a,a-trifluoro- (7CI,8CI);Cyanoacetic acid 3-trifluoromethylanilide;NSC621366; |
Article Data | 8 |
The Acetamide,2-cyano-N-[3-(trifluoromethyl)phenyl]-, with the CAS registry number 1960-77-6, is also known as NSC621366. This chemical's molecular formula is C10H7F3N2O and molecular weight is 228.17059. Its IUPAC name is called 2-cyano-N-[3-(trifluoromethyl)phenyl]acetamide. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of Acetamide,2-cyano-N-[3-(trifluoromethyl)phenyl]-: (1)ACD/LogP: 1.68; (2)ACD/LogD (pH 5.5): 0.7; (3)ACD/BCF (pH 5.5): 1.17; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 20.5; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.515; (11)Molar Refractivity: 50.05 cm3; (12)Molar Volume: 165.9 cm3; (13)Surface Tension: 39.6 dyne/cm; (14)Density: 1.375 g/cm3; (15)Flash Point: 182.8 °C; (16)Enthalpy of Vaporization: 62.66 kJ/mol; (17)Boiling Point: 378.7 °C at 760 mmHg; (18)Vapour Pressure: 6.18E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC(=C1)NC(=O)CC#N)C(F)(F)F
(2)InChI: InChI=1S/C10H7F3N2O/c11-10(12,13)7-2-1-3-8(6-7)15-9(16)4-5-14/h1-3,6H,4H2,(H,15,16)
(3)InChIKey: HYPXSLNQQNLJDY-UHFFFAOYSA-N