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Propanamide,2-methyl-N-[3-(trifluoromethyl)phenyl]- (1939-27-1)

Identification
Name:Propanamide,2-methyl-N-[3-(trifluoromethyl)phenyl]-
Synonyms:m-Propionotoluidide,a,a,a-trifluoro-2-methyl- (6CI,7CI,8CI);3'-Trifluoromethylisobutyranilide;2-Methyl-N-[3-(trifluoromethyl)phenyl]propanamide;
CAS:1939-27-1
EINECS: 406-740-4
Molecular Formula: C11H12F3NO
Molecular Weight: 231.21
InChI: InChI=1/C11H12F3NO/c1-7(2)10(16)15-9-5-3-4-8(6-9)11(12,13)14/h3-7H,1-2H3,(H,15,16)
Molecular Structure: (C11H12F3NO) m-Propionotoluidide,a,a,a-trifluoro-2-methyl- (6CI,7CI,8CI);3'-Trifluoromethylisobutyranilide;2-Meth...
Properties
Melting Point: 100-101 ºC
Density:1.22 g/cm3
Stability:Stable at room temperature in closed containers under normal storage and handling conditions.
Refractive index:1.489
Appearance:White crystalline
Specification:

The cas register number of 3'-Trifluoromethylisobutyranilide is 1939-27-1. It also can be called as 2-Methyl-N-[3-(trifluoromethyl)phenyl]propanamide and the IUPAC Name about this chemical is 2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide.

Physical properties about 3'-Trifluoromethylisobutyranilide are: (1)ACD/LogP: 3.08; (2)ACD/LogD (pH 5.5): 3.08; (3)ACD/LogD (pH 7.4): 3.08; (4)ACD/BCF (pH 5.5): 128.78; (5)ACD/BCF (pH 7.4): 128.78; (6)ACD/KOC (pH 5.5): 1126.77; (7)ACD/KOC (pH 7.4): 1126.77; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 20.31Å2; (12)Index of Refraction: 1.489; (13)Molar Refractivity: 54.72 cm3; (14)Molar Volume: 189.4 cm3; (15)Polarizability: 21.69x10-24cm3; (16)Surface Tension: 30.5 dyne/cm; (17)Enthalpy of Vaporization: 55.46 kJ/mol; (18)Vapour Pressure: 0.000493 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment and it is also harmful: danger of serious damage to health by prolonged exposure if swallowed. When you are using it, wear suitable protective clothing and not breathe dust. You need avoid release to the environment. Refer to special instructions / safety data sheets.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F
(2)InChI: InChI=1S/C11H12F3NO/c1-7(2)10(16)15-9-5-3-4-8(6-9)11(12,13)14/h3-7H,1-2H3,(H,15,16)
(3)InChIKey: GETMKVRSDFVVHL-UHFFFAOYSA-N

Storage Temperature: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Data
Hazard Symbols Xn: Harmful N: Dangerous for the environment