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CAS No.: | 59935-39-6 |
---|---|
Name: | 4-(Dimethylamino)-3-nitrobenzaldehyde |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C9H10N2O3 |
Molecular Weight: | 194.19 |
Synonyms: | 4-Dimethylamino-3-nitrobenzaldehyde;NSC 156545;4-Dimethylamino-3-nitro-benzaldehyde; |
Density: | 1.286 g/cm3 |
Melting Point: | 105-107 °C |
Boiling Point: | 335.9 °C at 760 mmHg |
Flash Point: | 156.9 °C |
Hazard Symbols: | Xi |
PSA: | 66.13000 |
LogP: | 1.99650 |
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The Benzaldehyde,4-(dimethylamino)-3-nitro-, with the CAS registry number 59935-39-6, is also known as 4-Dimethylamino-3-nitro-benzaldehyde. This chemical's molecular formula is C9H10N2O3 and molecular weight is 194.1873. What's more, both its IUPAC name and systematic name are the same which is called 4-Dimethylamino-3-nitrobenzaldehyde.
Physical properties about Benzaldehyde,4-(dimethylamino)-3-nitro- are: (1) ACD/LogP: 1.98; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 5; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 3; (6) Polar Surface Area: 66.13 Å2; (7) Index of Refraction: 1.632; (8) Molar Refractivity: 53.86 cm3; (9) Molar Volume: 150.9 cm3; (10) Polarizability: 21.35×10-24 cm3; (11) Surface Tension: 54.3 dyne/cm; (12) Density: 1.286 g/cm3; (13) Flash Point: 156.9 °C; (14) Enthalpy of Vaporization: 57.9 kJ/mol; (15) Boiling Point: 335.9 °C at 760 mmHg; (16) Vapour Pressure: 0.000116 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1cc(ccc1N(C)C)C=O
(2) InChI: InChI=1/C9H10N2O3/c1-10(2)8-4-3-7(6-12)5-9(8)11(13)14/h3-6H,1-2H3
(3) InChIKey: BMMZDXZYHYBOOQ-UHFFFAOYAE