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CAS No.: | 1190-92-7 |
---|---|
Name: | 1-DIMETHYLAMINO-2-NITROETHYLENE |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C4H8N2O2 |
Molecular Weight: | 116.12 |
Synonyms: | 1-Nitro-2-(dimethylamino)ethylene;N,N-Dimethyl-2-nitrovinylamine;N-(2-Nitrovinyl)dimethylamine;Vinylamine,N,N-dimethyl-2-nitro- (6CI,7CI,8CI);1-(Dimethylamino)-2-nitroethylene;1-(N,N-Dimethylamino)-2-nitroethylene; |
EINECS: | -0 |
Density: | 1.073 g/cm3 |
Melting Point: | 103-107 °C(lit.) |
Boiling Point: | 161.115 °C at 760 mmHg |
Flash Point: | 51.241 °C |
Hazard Symbols: | Xn,Xi |
Risk Codes: | 22-37/38-41-43 |
Safety: | 26-36/37/39-45 |
PSA: | 49.06000 |
LogP: | 0.81910 |
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The Ethenamine,N,N-dimethyl-2-nitro- is an organic compound with the formula C4H8N2O2. The systematic name of this chemical is (E)-N,N-dimethyl-2-nitroethenamine. With the CAS registry number 1190-92-7, it is also named as 1-(Dimethylamino)-2-nitroethene. Besides, it should be stored in a closed cool and dry place.
Physical properties about Ethenamine,N,N-dimethyl-2-nitro- are: (1)ACD/LogP: 0.43; (2)ACD/LogD (pH 5.5): 0.43; (3)ACD/LogD (pH 7.4): 0.43; (4)ACD/BCF (pH 5.5): 1.26; (5)ACD/BCF (pH 7.4): 1.26; (6)ACD/KOC (pH 5.5): 40.97; (7)ACD/KOC (pH 7.4): 41.04; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 49.06 Å2; (11)Index of Refraction: 1.473; (12)Molar Refractivity: 30.38 cm3; (13)Molar Volume: 108.2 cm3; (14)Polarizability: 12.04×10-24cm3; (15)Surface Tension: 34.7 dyne/cm; (16)Density: 1.073 g/cm3; (17)Flash Point: 51.2 °C; (18)Enthalpy of Vaporization: 39.77 kJ/mol; (19)Boiling Point: 161.1 °C at 760 mmHg; (20)Vapour Pressure: 2.31 mmHg at 25°C.
Preparation: this chemical can be prepared by N,N-dimethyl-formamide and nitromethane. This reaction will need reagent p-toluenesulfonic acid, triethyl orthoformate. The yield is about 52%.
Uses of Ethenamine,N,N-dimethyl-2-nitro-: it can be used to produce 5-bromo-3-(2-nitro-vinyl)-indole at temperature of 0 - 5 °C. It will need reagent CF3CO2H and solvent CH2Cl2 with reaction time of 10 hours. The yield is about 58%.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and risk of serious damage to eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to respiratory system and skin. It may cause sensitisation by skin contact. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)\C=C\N(C)C
(2)InChI: InChI=1/C4H8N2O2/c1-5(2)3-4-6(7)8/h3-4H,1-2H3/b4-3+
(3)InChIKey: JKOVQYWMFZTKMX-ONEGZZNKBI
(4)Std. InChI: InChI=1S/C4H8N2O2/c1-5(2)3-4-6(7)8/h3-4H,1-2H3/b4-3+
(5)Std. InChIKey: JKOVQYWMFZTKMX-ONEGZZNKSA-N