Ethanone,1-(2-amino-3-methylphenyl)- supplier

Name
Ethanone, 1-(2-amino-3-methylphenyl)- (9CI)
EINECS
CAS No. 53657-94-6
Article Data15
CAS DataBase
Density 1.069 g/cm³
Solubility
Melting Point 55-56 °C
Formula C₉H₁₁NO
Boiling Point 271.6 °C at 760 mmHg
Molecular Weight 149.192
Flash Point 118.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetophenone,2'-amino-3'-methyl- (7CI);1-(2-Amino-3-methylphenyl)ethanone;2-Acetyl-6-methylaniline;2-Methyl-6-acetylaniline;2'-Amino-3'-methylacetophenone;
PSA 43.09000
LogP 2.36100

Ethanone,1-(2-amino-3-methylphenyl)- Specification

The Ethanone,1-(2-amino-3-methylphenyl)-, with the CAS registry number 53657-94-6, is also known as 2-Acetyl-6-methylaniline. It belongs to the product category of Acetylgroup. This chemical's molecular formula is C₉H₁₁NO and molecular weight is 149.18974. What's more, its IUPAC name and systematic name are the same which is called 1-(2-Amino-3-methylphenyl)ethanone.

Physical properties about Ethanone,1-(2-amino-3-methylphenyl)-: (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.08; (4)ACD/LogD (pH 7.4): 2.08; (5)ACD/BCF (pH 5.5): 22.42; (6)ACD/BCF (pH 7.4): 22.43; (7)ACD/KOC (pH 5.5): 322.38; (8)ACD/KOC (pH 7.4): 322.52; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 45.34 cm³; (15)Molar Volume: 139.5 cm³; (16)Surface Tension: 42.3 dyne/cm; (17)Density: 1.069 g/cm³; (18)Flash Point: 118.1 °C; (19)Enthalpy of Vaporization: 50.98 kJ/mol; (20)Boiling Point: 271.6 °C at 760 mmHg; (21)Vapour Pressure: 0.00639 mmHg at 25 °C.

Preparation of Ethanone,1-(2-amino-3-methylphenyl)-: it can be obtained by 2-Mmethyl-aniline and Acetonitrile. The reaction occurs with reagents BCl₃, AlCl₃, aq. HCl and solvents toluene, acetonitrile at temperature of 20°C for 8.5 hours. The yield is 39.8%.

Ethanone,1-(2-amino-3-methylphenyl)- can be obtained by 2-Mmethyl-aniline and Acetonitrile

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1cccc(c1N)C)C
(2) InChI: InChI=1/C9H11NO/c1-6-4-3-5-8(7(2)11)9(6)10/h3-5H,10H2,1-2H3
(3) InChIKey: SIAKXVRAWQIXRD-UHFFFAOYAT

Product Name

Ethanone, 1-(2-amino-3-methylphenyl)- (9CI)

Ethanone,1-(2-amino-3-methylphenyl)- Specification

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