Name: 2-Amino-5-acetamidobenzotrifluoride
SKU: 1579-89-1

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Basic Information

Molecular Structure:
CAS No.:	1579-89-1
Name:	2-Amino-5-acetamidobenzotrifluoride
Article Data:	2

Formula:	C₉H₉F₃N₂O
Molecular Weight:	218.178
Synonyms:	m-Acetotoluidide,4'-amino-a,a,a-trifluoro- (6CI,8CI);a,a,a-Trifluoro-4'-amino-m-acetotoluidide;
Density:	1.378 g/cm³
Melting Point:	119 °C
Boiling Point:	261.373 °C at 760 mmHg
Flash Point:	111.875 °C
Appearance:	Colorless transparent liquid
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	55.12000
LogP:	2.90020

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Specification

The 2-Amino-5-acetamidobenzotrifluoride with the CAS number 1579-89-1 is also called Acetamide,N-[4-amino-3-(trifluoromethyl)phenyl]-. The systematic name is N-[4-amino-3-(trifluoromethyl)phenyl]acetamide. Its molecular formula is C₉H₉F₃N₂O. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 23; (6)ACD/BCF (pH 7.4): 23; (7)ACD/KOC (pH 5.5): 331; (8)ACD/KOC (pH 7.4): 331; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.12 Å²; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 49.741 cm³; (15)Molar Volume: 158.307 cm³; (16)Polarizability: 19.719×10^-24cm³; (17)Surface Tension: 38.39 dyne/cm; (18)Enthalpy of Vaporization: 49.911 kJ/mol; (19)Vapour Pressure: 0.012 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(ccc1N)NC(C)=O
(2)InChI: InChI=1/C9H9F3N2O/c1-5(15)14-6-2-3-8(13)7(4-6)9(10,11)12/h2-4H,13H2,1H3,(H,14,15)
(3)InChIKey: QMCLCXKXDXBQLB-UHFFFAOYAT