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| CAS No.: | 607-92-1 |
|---|---|
| Name: | N-(2,6-DIMETHYLPHENYL)FORMAMIDE |
| Molecular Structure: | |
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| Formula: | C9H11NO |
| Molecular Weight: | 149.192 |
| Synonyms: | 2',6'-Formoxylidide(6CI,7CI,8CI);2,6-Dimethylformanilide;2',6'-Dimethylformanilide;N-(2,6-Dimethylphenyl)formamide;N-Formyl-2,6-dimethylaniline;NSC 403675; |
| Density: | 1.075 g/cm3 |
| Melting Point: | 166-170 °C(lit.) |
| Boiling Point: | 305.5 °C at 760 mmHg |
| Flash Point: | 176.3 °C |
| Appearance: | solid |
| PSA: | 29.10000 |
| LogP: | 2.58060 |
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Specification
This chemical is called Formamide, N-(2,6-dimethylphenyl)-, and its systematic name is N-(2,6-dimethylphenyl)formamide. With the molecular formula of C9H11NO, its molecular weight is 149.19. The CAS registry number of this chemical is 607-92-1.
Other characteristics of the Formamide, N-(2,6-dimethylphenyl)- can be summarised as followings: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 2.07; (5)ACD/BCF (pH 5.5): 22.04; (6)ACD/BCF (pH 7.4): 22.04; (7)ACD/KOC (pH 5.5): 318.45; (8)ACD/KOC (pH 7.4): 318.52; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 45.69 cm3; (15)Molar Volume: 138.7 cm3; (16)Polarizability: 18.11×10-24cm3; (17)Surface Tension: 40.6 dyne/cm; (18)Density: 1.075 g/cm3; (19)Flash Point: 176.3 °C; (20)Enthalpy of Vaporization: 54.6 kJ/mol; (21)Boiling Point: 305.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000816 mmHg at 25°C.
Production method of this chemical: The Formamide, N-(2,6-dimethylphenyl)- could be obtained by the reactants of 2,6-dimethyl-aniline and acetic formic anhydride. This reaction needs the solvent of tetrahydrofuran. The yield is 100 %. In addition, this reaction should be taken for 0.25 hour at -20 °C.
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Uses of this chemical: The Formamide, N-(2,6-dimethylphenyl)- could react with dipropylamine, and obtain the N'-(2,6-dimethyl-phenyl)-N,N-dipropyl-formamidine. This reaction needs the reagent of diphosphorus pentaoxide. The yield is 90 %. In addition, this reaction should be taken for 2 hours at 210 °C.
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You can still convert the following datas into molecular structure:
1.SMILES: O=CNc1c(cccc1C)C
2.InChI: InChI=1/C9H11NO/c1-7-4-3-5-8(2)9(7)10-6-11/h3-6H,1-2H3,(H,10,11)
3.InChIKey: AJLHOOOTXXVJCZ-UHFFFAOYAM