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6-Nitro-4-oxo-4H-chromene-3-carbaldehyde

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Name

6-Nitro-4-oxo-4H-chromene-3-carbaldehyde

EINECS N/A
CAS No. 42059-80-3 Density 1.641 g/cm3
PSA 93.10000 LogP 2.03690
Solubility N/A Melting Point 157-161 °C(lit.)
Formula C10H5NO5 Boiling Point 406.2 °C at 760 mmHg
Molecular Weight 219.153 Flash Point 207.6 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 42059-80-3 (3-FORMYL-6-NITROCHROMONE) Hazard Symbols IrritantXi
Synonyms

3-Formyl-6-nitrochromone;6-Nitrochromone-3-carboxaldehyde;

Article Data 8

6-Nitro-4-oxo-4H-chromene-3-carbaldehyde 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%.

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

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