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| CAS No.: | 619-26-1 |
|---|---|
| Name: | N-Methyl-3-nitro-aniline |
| Article Data: | 28 |
| Molecular Structure: | |
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|
|
| Formula: | C7H8N2O2 |
| Molecular Weight: | 152.153 |
| Synonyms: | Benzenamine, N-methyl-3-nitro-; |
| Density: | 1.26g/cm3 |
| Melting Point: | 64-68 °C |
| Boiling Point: | 274.7 °C at 760 mmHg |
| Flash Point: | 119.9 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-43 |
| Safety: | 36/37 |
| PSA: | 57.85000 |
| LogP: | 2.23270 |
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- Total:16 Page 1 of 1 1
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Specification
The N-Methyl-3-nitro-aniline, with the CAS registry number 619-26-1, is also known as Benzenamine, N-methyl-3-nitro-. It belongs to the product categories of Amines; C7; Nitrogen Compounds. This chemical's molecular formula is C7H8N2O2 and molecular weight is 152.1506.
Physical properties about N-Methyl-3-nitro-aniline are: (1)ACD/LogP: 1.89; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 49.06Å2; (7)Index of Refraction: 1.619; (8)Molar Refractivity: 42.4 cm3; (9)Molar Volume: 120.7 cm3; (10)Surface Tension: 50.3 dyne/cm; (11)Density: 1.26 g/cm3; (12)Flash Point: 119.9 °C; (13)Enthalpy of Vaporization: 51.31 kJ/mol; (14)Boiling Point: 274.7 °C at 760 mmHg; (15)Vapour Pressure: 0.00534 mmHg at 25 °C; (16)Melting Point: 64-68 °C.
When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health. It is harmful if it is swallowed. It may cause sensitisation by skin contact. Therefore, you should wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1cccc(NC)c1
(2) InChI: InChI=1/C7H8N2O2/c1-8-6-3-2-4-7(5-6)9(10)11/h2-5,8H,1H3
(3) InChIKey: IKSRCCUOUJJGAU-UHFFFAOYAG