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| CAS No.: | 582-78-5 |
|---|---|
| Name: | 4'-methylbenzanilide |
| Article Data: | 353 |
| Molecular Structure: | |
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| Formula: | C14H13NO |
| Molecular Weight: | 211.263 |
| Synonyms: | p-Toluoylaniline;N-Benzoyl-p-toluidine;Benzoic acid p-toluidide;Benzamide, N-(4-methylphenyl)-;Benzamide, N- (4-methylphenyl)-;p-Benzotoluidide;N-(4-methylphenyl)benzamide;4'-Methylbenzanilide; |
| EINECS: | 209-491-8 |
| Density: | 1.144 g/cm3 |
| Melting Point: | 158 °C |
| Boiling Point: | 265.3 °C at 760 mmHg |
| Flash Point: | 154.9 °C |
| PSA: | 29.10000 |
| LogP: | 3.32030 |
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Specification
The Benzamide, N-p-tolyl-, with the CAS registry number 582-78-5, is also known as 4'-Methylbenzanilide. Its EINECS number is 209-491-8. This chemical's molecular formula is C14H13NO and molecular weight is 211.26. What's more, its IUPAC name is N-(4-methylphenyl)benzamide.
Physical properties of Benzamide, N-p-tolyl- are: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 209; (6)ACD/BCF (pH 7.4): 209; (7)ACD/KOC (pH 5.5): 1593; (8)ACD/KOC (pH 7.4): 1593; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.1 Å2; (13)Index of Refraction: 1.63 ; (14)Molar Refractivity: 65.653 cm3; (15)Molar Volume: 184.58 cm3; (16)Polarizability: 26.027×10-24cm3; (17)Surface Tension: 47.489 dyne/cm; (18)Density: 1.145 g/cm3; (19)Flash Point: 155.727 °C; (20)Enthalpy of Vaporization: 50.454 kJ/mol; (21)Boiling Point: 266.559 °C at 760 mmHg; (22)Vapour Pressure: 0.009 mmHg at 25°C.
Preparation of Benzamide, N-p-tolyl-: this chemical can be prepared by 4-methyl-aniline, benzoic acid hydrazide. This reaction will need reagent HgO and solvent benzene with the reaction time of 30 min. The yield is about 87%.
Uses of Benzamide, N-p-tolyl-: it can be used to produce N-benzyl-p-toluidine by heating. It will need reagents lithium aluminum hydride and solvent tetrahydrofuran with the reaction time of 2 hours. The yield is about 76%.
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You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2
(2)InChI: InChI=1S/C14H13NO/c1-11-7-9-13(10-8-11)15-14(16)12-5-3-2-4-6-12/h2-10H,1H3,(H,15,16)
(3)InChIKey: YUIHXKGKVSVIEL-UHFFFAOYSA-N