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2-(p-Tolyloxy)aniline

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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 Molecular Structure of 20927-98-4 (2-(p-Tolyloxy)aniline) Hazard Symbols N/A
Synonyms

2-(p-tolyloxy)aniline;Einecs 244-115-6

Article Data 12

2-(p-Tolyloxy)aniline Specification

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.

The 2-Allylamino-4'-methyldiphenyl ether could be obtained by the reactants of 3-Bromo-propene and 2-(p-Tolyloxy)aniline.

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

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