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| CAS No.: | 552-32-9 |
|---|---|
| Name: | 2'-NITROACETANILIDE |
| Molecular Structure: | |
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| Formula: | C8H8N2O3 |
| Molecular Weight: | 180.163 |
| Synonyms: | Acetanilide,2'-nitro- (6CI,8CI);2'-Nitroacetanilide;N-(2-Nitrophenyl)acetamide;N-Acetyl-o-nitroaniline;NSC 1313;o-Nitroacetanilide;N-(2-nitrophenyl)acetamide;2-Nitroacetanilide; o-Nitroacetanilide;2'-Nitroacetanilide;Acetanilide, 2'-nitro-; |
| EINECS: | 209-009-6 |
| Density: | 1.34 g/cm3 |
| Melting Point: | 90-94 °C |
| Boiling Point: | 388.1 °C at 760 mmHg |
| Flash Point: | 188.5 °C |
| Solubility: | 2.2g/L(room temperature) |
| Appearance: | solid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 37/39-26 |
| PSA: | 74.92000 |
| LogP: | 2.14940 |
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Specification
The Acetamide,N-(2-nitrophenyl)-, with the CAS registry number 552-32-9 and EINECS registry number 209-009-6, has the systematic name of N-(2-nitrophenyl)acetamide. It belongs to the following product categories: Intermediates of Dyes and Pigments; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Anilines, Amides & Amines; Nitro Compounds. And the molecular formula of the chemical is C8H8N2O3. What's more, it can be prepared by Acetic anhydride acetylation with ortho-nitroaniline. And it always used for the synthesis of dyes and other organic.
The characteristics of Acetamide,N-(2-nitrophenyl)- are as followings: (1)ACD/LogP: 1.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3.39; (6)ACD/BCF (pH 7.4): 3.39; (7)ACD/KOC (pH 5.5): 83.37; (8)ACD/KOC (pH 7.4): 83.37; (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: 1.617; (14)Molar Refractivity: 47.07 cm3; (15)Molar Volume: 134.3 cm3; (16)Polarizability: 18.66×10-24cm3; (17)Surface Tension: 55.3 dyne/cm; (18)Density: 1.34 g/cm3; (19)Flash Point: 188.5 °C; (20)Enthalpy of Vaporization: 63.73 kJ/mol; (21)Boiling Point: 388.1 °C at 760 mmHg; (22)Vapour Pressure: 3.14E-06 mmHg at 25°C.
Preparation of Acetamide,N-(2-nitrophenyl)-: This chemical can be prepared by acetic acid anhydride and 2-nitro-aniline. The reaction will need reagent Mg(ClO4)2. The reaction time is 0.5 hours with temperature of 20°C, and the yield is about 89%.
Uses of Acetamide,N-(2-nitrophenyl)-: It can react with 3-bromo-2-methyl-propene to produce o-nitro-N-(2-methyl-2-propenyl)acetanilide. This reaction will need reagent KOH, and the menstruum acetone. The reaction time is 3 minutes with heating, and the yield is about 92%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(Nc1ccccc1[N+]([O-])=O)C
(2)InChI: InChI=1/C8H8N2O3/c1-6(11)9-7-4-2-3-5-8(7)10(12)13/h2-5H,1H3,(H,9,11)
(3)InChIKey: BUNFNRVLMKHKIT-UHFFFAOYAY