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| CAS No.: | 20357-24-8 |
|---|---|
| Name: | 5-Methoxy-2-nitrobenzaldehyde |
| Molecular Structure: | |
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| Formula: | C8H7NO4 |
| Molecular Weight: | 181.148 |
| Synonyms: | m-Anisaldehyde,6-nitro- (6CI,8CI);3-Methoxy-6-nitrobenzaldehyde;5-Methoxy-2-nitrobenzaldehyde;6-Nitro-m-anisaldehyde;NSC 25207; |
| Density: | 1.322 g/cm3 |
| Melting Point: | 83 °C |
| Boiling Point: | 354.7 °C at 760 mmHg |
| Flash Point: | 184.2 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 72.12000 |
| LogP: | 1.93910 |
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Specification
The Benzaldehyde,5-methoxy-2-nitro- is an organic compound with the formula C8H7NO4. The IUPAC name of this chemical is 5-methoxy-2-nitrobenzaldehyde. With the CAS registry number 20357-24-8, it is also named as 2-nitro-5-methoxybenzaldehyde.
Physical properties about Benzaldehyde,5-methoxy-2-nitro- are: (1)ACD/LogP: 1.91; (2)#H bond acceptors: 5; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 72.12 Å2; (5)Index of Refraction: 1.59; (6)Molar Refractivity: 46.22 cm3; (7)Molar Volume: 136.9 cm3; (8)Polarizability: 18.32×10-24cm3; (9)Surface Tension: 50.1 dyne/cm; (10)Density: 1.322 g/cm3; (11)Flash Point: 184.2 °C; (12)Enthalpy of Vaporization: 59.98 kJ/mol; (13)Boiling Point: 354.7 °C at 760 mmHg; (14)Vapour Pressure: 3.28E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1c(cc(OC)cc1)C=O
(2)InChI: InChI=1/C8H7NO4/c1-13-7-2-3-8(9(11)12)6(4-7)5-10/h2-5H,1H3
(3)InChIKey: BNTDDWPHSMILHQ-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C8H7NO4/c1-13-7-2-3-8(9(11)12)6(4-7)5-10/h2-5H,1H3
(5)Std. InChIKey: BNTDDWPHSMILHQ-UHFFFAOYSA-N