Acetamide,2-cyano-N-[3-(trifluoromethyl)phenyl]- supplier

Name
2-CYANO-N-[3-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE
EINECS
CAS No. 1960-77-6
Article Data8
CAS DataBase
Density 1.375 g/cm³
Solubility
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
Appearance
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;
PSA 52.89000
LogP 2.63058

Acetamide,2-cyano-N-[3-(trifluoromethyl)phenyl]- Specification

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

Product Name

2-CYANO-N-[3-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE

Acetamide,2-cyano-N-[3-(trifluoromethyl)phenyl]- Specification

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