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Name |
2-(p-Tolyloxy)aniline |
EINECS | 244-115-6 |
CAS No. | 20927-98-4 | Density | 1.115 g/cm3 |
PSA | 35.25000 | LogP | 3.95070 |
Solubility | N/A | Melting Point |
92-93 °C |
Formula | C13H13NO | Boiling Point | 305.7 °C at 760 mmHg |
Molecular Weight | 199.252 | Flash Point | 138.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-(p-tolyloxy)aniline;Einecs 244-115-6 |
Article Data | 12 |
This chemical is called 2-(p-Tolyloxy)aniline, and it can also be named as 2-(4-Methylphenoxy)aniline. With the molecular formula of C13H13NO, its molecular weight is 199.2484. The CAS registry number of this chemical is 20927-98-4. The EINECS number of this chemical is 244-115-6.
Other characteristics of the 2-(p-Tolyloxy)aniline can be summarised as follows: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.9; (4)ACD/LogD (pH 7.4): 2.92; (5)ACD/BCF (pH 5.5): 93.84; (6)ACD/BCF (pH 7.4): 97.51; (7)ACD/KOC (pH 5.5): 888.44; (8)ACD/KOC (pH 7.4): 923.22; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds:3; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 61.75 cm3; (15)Molar Volume: 178.5 cm3; (16)Polarizability: 24.48×10-24 cm3; (17)Surface Tension: 44.7 dyne/cm; (18)Density: 1.115 g/cm3; (19)Flash Point: 138.1 °C; (20)Enthalpy of Vaporization: 54.61 kJ/mol; (21)Boiling Point: 305.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000809 mmHg at 25°C.
Uses of this chemical: The 2-Allylamino-4'-methyldiphenyl ether could be obtained by the reactants of 3-Bromo-propene and 2-(p-Tolyloxy)aniline. This reaction needs the reagent of potassium carbonate, and the solvent of dimethylformamide. The yield is 53 %. This reaction should be taken for 18 hours.
You can still convert the following datas into molecular structure:
1.SMILES: O(c1ccc(cc1)C)c2ccccc2N
2.InChI: InChI=1/C13H13NO/c1-10-6-8-11(9-7-10)15-13-5-3-2-4-12(13)14/h2-9H,14H2,1H3
3.InChIKey: CBFBLDXMJDSGJZ-UHFFFAOYAD