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Name |
Ethanone,1-(4-amino-3-methylphenyl)- |
EINECS | N/A |
CAS No. | 43230-11-1 | Density | 1.069 g/cm3 |
PSA | 43.09000 | LogP | 2.36100 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H11NO | Boiling Point | 310.9 °C at 760 mmHg |
Molecular Weight | 149.192 | Flash Point | 141.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Acetophenone,4'-amino-3'-methyl- (6CI,7CI);1-(4-Amino-3-methylphenyl)ethanone;4-Acetyl-2-methylaniline; |
Article Data | 14 |
The Ethanone,1-(4-amino-3-methylphenyl)-, with the CAS registry number 43230-11-1, is also known as 4-Acetyl-2-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-(4-Amino-3-methylphenyl)ethanone.
Physical properties about Ethanone,1-(4-amino-3-methylphenyl)-: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.87; (4)ACD/LogD (pH 7.4): 0.87; (5)ACD/BCF (pH 5.5): 2.7; (6)ACD/BCF (pH 7.4): 2.7; (7)ACD/KOC (pH 5.5): 70.82; (8)ACD/KOC (pH 7.4): 70.85; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.09 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: 141.8 °C; (19)Enthalpy of Vaporization: 55.17 kJ/mol; (20)Boiling Point: 310.9 °C at 760 mmHg; (21)Vapour Pressure: 0.000584 mmHg at 25 °C.
Preparation of Ethanone,1-(4-amino-3-methylphenyl)-: it can be obtained by N-o-Tolyl-acetamide. The reaction occurs with reagent ZrOCl2 at temperature of 160 - 180°C for 30 minutes. The yield is 82%.
Uses of Ethanone,1-(4-amino-3-methylphenyl)-: it is used to produce 4'-Amino-3'-bromo-5'-methyl-acetophenone. The reaction occurs with reagent Br2 and solvent aq. acetic acid. The yield is 88.6%.
You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cc(ccc1N)C(C)=O
(2) InChI: InChI=1/C9H11NO/c1-6-5-8(7(2)11)3-4-9(6)10/h3-5H,10H2,1-2H3
(3) InChIKey: NGOTZSLPEOKQGQ-UHFFFAOYAO