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| CAS No.: | 42059-80-3 |
|---|---|
| Name: | 3-FORMYL-6-NITROCHROMONE |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C10H5NO5 |
| Molecular Weight: | 219.153 |
| Synonyms: | 3-Formyl-6-nitrochromone;6-Nitrochromone-3-carboxaldehyde; |
| Density: | 1.641 g/cm3 |
| Melting Point: | 157-161 °C(lit.) |
| Boiling Point: | 406.2 °C at 760 mmHg |
| Flash Point: | 207.6 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 93.10000 |
| LogP: | 2.03690 |
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Specification
The 4H-1-Benzopyran-3-carboxaldehyde,6-nitro-4-oxo-, with the CAS registry number 42059-80-3, is also known as 6-Nitro-4-oxo-4H-1-benzopyran-3-carboxaldehyde. This chemical's molecular formula is C10H5NO5 and molecular weight is 219.15. Its systematic name is called 6-nitro-4-oxo-4H-chromene-3-carbaldehyde.
Physical properties of 4H-1-Benzopyran-3-carboxaldehyde,6-nitro-4-oxo-: (1)ACD/LogP: 1.05; (2)ACD/LogD (pH 5.5): 1.05; (3)ACD/LogD (pH 7.4): 1.05; (4)ACD/BCF (pH 5.5): 3.67; (5)ACD/BCF (pH 7.4): 3.67; (6)ACD/KOC (pH 5.5): 88.26; (7)ACD/KOC (pH 7.4): 88.26; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.723; (11)Molar Refractivity: 52.91 cm3; (12)Molar Volume: 133.5 cm3; (13)Surface Tension: 87.1 dyne/cm; (14)Density: 1.641 g/cm3; (15)Flash Point: 207.6 °C; (16)Enthalpy of Vaporization: 65.79 kJ/mol; (17)Boiling Point: 406.2 °C at 760 mmHg; (18)Vapour Pressure: 8.26E-07 mmHg at 25°C.
Uses of 4H-1-Benzopyran-3-carboxaldehyde,6-nitro-4-oxo-: it can be used to produce 2-(6-nitro-4-oxo-4H-chromen-3-ylmethylene)-indan-1,3-dione. This reaction will need solvent acetic anhydride with reaction time of 4 min. The yield is about 61%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ccc1O/C=C(\C(=O)c1c2)C=O
(2)InChI: InChI=1/C10H5NO5/c12-4-6-5-16-9-2-1-7(11(14)15)3-8(9)10(6)13/h1-5H
(3)InChIKey: JBDRQGWTNRIJRV-UHFFFAOYAL