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| CAS No.: | 2216-16-2 |
|---|---|
| Name: | 3-DIETHYLAMINO-1-NITROBENZENE |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C10H14N2O2 |
| Molecular Weight: | 194.233 |
| Synonyms: | Aniline,N,N-diethyl-m-nitro- (6CI);3-Nitro-N,N-diethylaniline;N,N-Diethyl-3-nitroaniline;N,N-Diethyl-m-nitroaniline;m-Nitro-N,N-diethylaniline; |
| Density: | 1.127 g/cm3 |
| Melting Point: | 77.5°C (estimate) |
| Boiling Point: | 289 °C at 760 mmHg |
| Flash Point: | 135.7 °C |
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 49.06000 |
| LogP: | 2.96420 |
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Specification
The Benzenamine,N,N-diethyl-3-nitro-, with the CAS registry number 2216-16-2, is also known as 3-Nitro-N,N-diethylaniline. This chemical's molecular formula is C10H14N2O2 and molecular weight is 194.23. What's more, its IUPAC name is N,N-diethyl-3-nitroaniline.
Physical properties of Benzenamine,N,N-diethyl-3-nitro- are: (1)ACD/LogP: 3.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.78; (4)ACD/LogD (pH 7.4): 3.8; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 49.06 Å2; (9)Index of Refraction: 1.568; (10)Molar Refractivity: 56.37 cm3; (11)Molar Volume: 172.2 cm3; (12)Polarizability: 22.34×10-24cm3; (13)Surface Tension: 44.2 dyne/cm; (14)Density: 1.127 g/cm3; (15)Flash Point: 135.7 °C; (16)Enthalpy of Vaporization: 52.83 kJ/mol; (17)Boiling Point: 289 °C at 760 mmHg; (18)Vapour Pressure: 0.00226 mmHg at 25°C.
Preparation of Benzenamine,N,N-diethyl-3-nitro-: this chemical can be prepared by iodoethane and 3-nitro-aniline by heating. This reaction will need reagent soda and solvent ethanol with the reaction time of 10 hours. The yield is about 80%.
Uses of Benzenamine,N,N-diethyl-3-nitro-: it can be used to produce N,N-diethyl-m-phenylenediamine by heating. It will need reagents HCl, Fe, H2 and solvents ethanol, H2O with the reaction time of 1 hour. The yield is about 85%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCN(CC)C1=CC(=CC=C1)[N+](=O)[O-]
(2)InChI: InChI=1S/C10H14N2O2/c1-3-11(4-2)9-6-5-7-10(8-9)12(13)14/h5-8H,3-4H2,1-2H3
(3)InChIKey: QSNHMSRICSDACJ-UHFFFAOYSA-N