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CAS No.: | 2719-15-5 |
---|---|
Name: | 2-METHYL-4-NITROACETANILIDE |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C9H10N2O3 |
Molecular Weight: | 194.19 |
Synonyms: | o-Acetotoluidide,4'-nitro- (6CI,7CI,8CI);2'-Methyl-4'-nitroacetanilide;5-Nitro-2-acetamidotoluene;Acetyl-p-nitro-o-toluidine;NSC 29042; |
Density: | 1.289 g/cm3 |
Melting Point: | 198-200°C |
Boiling Point: | 393.3 °C at 760 mmHg |
Flash Point: | 191.7 °C |
Appearance: | off-white solid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 20/21/22 |
Safety: | 26-36/37/39 |
PSA: | 74.92000 |
LogP: | 2.45780 |
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The Acetamide,N-(2-methyl-4-nitrophenyl)- with CAS registry number of 2719-15-5 is also called 2'-Methyl-4'-nitroacetanilide and 5-Nitro-2-acetamidotoluene. In addition, the formula is C9H10N2O3 and the molecular weight is 194.1873. It has irritant.
Physical properties about this chemical are: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.12; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 24.06; (6)ACD/BCF (pH 7.4): 24.06; (7)ACD/KOC (pH 5.5): 339.1; (8)ACD/KOC (pH 7.4): 339.1; (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)Polarizability: 20.57 ×10-24cm3; (17)Surface Tension: 51.8 dyne/cm; (18)Density: 1.289 g/cm3; (19)Flash Point: 191.7 °C; (20)Enthalpy of Vaporization: 64.32 kJ/mol; (21)Boiling Point: 393.3 °C at 760 mmHg; (22)Vapour Pressure: 2.15E-06 mmHg at 25°C.
Preparation of Acetamide,N-(2-methyl-4-nitrophenyl)-: It can be prepared by acetic acid anhydride and 2-methyl-aniline. The other product is acetic acid-(2-methyl-6-nitro-anilide). This reaction needs reagent HNO3. The yield is 60%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. When you are using it, wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccc(cc1C)[N+]([O-])=O)C
(2)InChI: InChI=1/C9H10N2O3/c1-6-5-8(11(13)14)3-4-9(6)10-7(2)12/h3-5H,1-2H3,(H,10,12)
(3)InChIKey: JZEOVPGWIWSSAK-UHFFFAOYAV