China (Mainland)
Acetamide,N-(2-methyl-6-nitrophenyl)- CAS NO.59907-22-1
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Keywords
- NSC 243773
- 3-Nitro-2-acetamidotoluene
- 2'-Methyl-6'-nitroacetanilide
Quick Details
- ProName: Acetamide,N-(2-methyl-6-nitrophenyl)-
- CasNo: 59907-22-1
- Application: The Acetamide, N-(2-methyl-6-nitrophen...
- ProductionCapacity: Metric Ton/Day
- Purity: 99
- Transportation: The Acetamide, N-(2-methyl-6-nitrophen...
- LimitNum: 0 Metric Ton
Superiority
The Acetamide, N-(2-methyl-6-nitrophenyl)-, with the CAS registry number of 59907-22-1, is also known as 4-(4-Chlorophenoxy)-3, 5-difluorobenzene-1-sulfonyl chloride and N-(2-Methyl-6-nitro-phenyl)-acetamide. This chemical's molecular formula is C9H10N2O3 and molecular weight is 194.1873. What's more, its IUPAC name is N-(2-Methyl-6-nitrophenyl)acetamide.
Physical properties about Acetamide, N-(2-methyl-6-nitrophenyl)- are: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.46; (4)ACD/LogD (pH 7.4): 1.46; (5)ACD/BCF (pH 5.5): 7.58; (6)ACD/BCF (pH 7.4): 7.58; (7)ACD/KOC (pH 5.5): 148.35; (8)ACD/KOC (pH 7.4): 148.35; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 66.13 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 51.89 cm3; (15)Molar Volume: 150.6 cm3; (16)Surface Tension: 51.8 dyne/cm; (17)Density: 1.289 g/cm3; (18)Flash Point: 180.8 °C; (19)Enthalpy of Vaporization: 62.28 kJ/mol; (20)Boiling Point: 375.3 °C at 760 mmHg; (21)Vapour Pressure: 7.87E-06 mmHg at 25 °C.
Preparation: this chemical is prepared by N, N-Diacetyl-6-nitro-o-toluidine at ambient temperature. The reaction needs reagent conc. HCl and solvent Acetic acid. The reaction time is 1.5 hours. The yield is about 85 %.
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You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Nc1c(cccc1C)[N+]([O-])=O)C
(2) InChI: InChI=1/C9H10N2O3/c1-6-4-3-5-8(11(13)14)9(6)10-7(2)12/h3-5H,1-2H3,(H,10,12)
(3) InChIKey: VWGWKZKGMNQBIK-UHFFFAOYAP
Details
The Acetamide, N-(2-methyl-6-nitrophenyl)-, with the CAS registry number of 59907-22-1, is also known as 4-(4-Chlorophenoxy)-3, 5-difluorobenzene-1-sulfonyl chloride and N-(2-Methyl-6-nitro-phenyl)-acetamide. This chemical's molecular formula is C9H10N2O3 and molecular weight is 194.1873. What's more, its IUPAC name is N-(2-Methyl-6-nitrophenyl)acetamide.
Physical properties about Acetamide, N-(2-methyl-6-nitrophenyl)- are: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.46; (4)ACD/LogD (pH 7.4): 1.46; (5)ACD/BCF (pH 5.5): 7.58; (6)ACD/BCF (pH 7.4): 7.58; (7)ACD/KOC (pH 5.5): 148.35; (8)ACD/KOC (pH 7.4): 148.35; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 66.13 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 51.89 cm3; (15)Molar Volume: 150.6 cm3; (16)Surface Tension: 51.8 dyne/cm; (17)Density: 1.289 g/cm3; (18)Flash Point: 180.8 °C; (19)Enthalpy of Vaporization: 62.28 kJ/mol; (20)Boiling Point: 375.3 °C at 760 mmHg; (21)Vapour Pressure: 7.87E-06 mmHg at 25 °C.
Preparation: this chemical is prepared by N, N-Diacetyl-6-nitro-o-toluidine at ambient temperature. The reaction needs reagent conc. HCl and solvent Acetic acid. The reaction time is 1.5 hours. The yield is about 85 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Nc1c(cccc1C)[N+]([O-])=O)C
(2) InChI: InChI=1/C9H10N2O3/c1-6-4-3-5-8(11(13)14)9(6)10-7(2)12/h3-5H,1-2H3,(H,10,12)
(3) InChIKey: VWGWKZKGMNQBIK-UHFFFAOYAP