2H-1-Benzopyran-3-carbonitrile,2-oxo- supplier

Name
3-CYANOCOUMARIN
EINECS
CAS No. 15119-34-3
Article Data3
CAS DataBase
Density 1.34 g/cm³
Solubility
Melting Point 184-188 °C(lit.)
Formula C₁₀H₅NO₂
Boiling Point 350.7 °C at 760 mmHg
Molecular Weight 171.155
Flash Point 167.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Coumarin,3-cyano- (7CI,8CI);2-Oxo-2H-1-benzopyran-3-carbonitrile;3-Cyanocoumarin;
PSA 54.00000
LogP 1.66468

2H-1-Benzopyran-3-carbonitrile,2-oxo- Specification

The 2H-1-Benzopyran-3-carbonitrile,2-oxo- is an organic compound with the formula C₁₀H₅NO₂. The IUPAC name of this chemical is 2-Oxochromene-3-carbonitrile. With the CAS registry number 15119-34-3, it is also named as 3-Cyano-coumarin. The product's categories are Coumarin; Building Blocks; Coumarins; Heterocyclic Building Blocks. Besides, it should be stored in a sealed, dry, well-ventilated, lightproof place.

Physical properties about 2H-1-Benzopyran-3-carbonitrile,2-oxo- are: (1)ACD/LogP: 1.52; (2)#H bond acceptors: 3; (3)Polar Surface Area: 50.09 Å²; (4)Index of Refraction: 1.621; (5)Molar Refractivity: 44.7 cm³; (6)Molar Volume: 127 cm³; (7)Polarizability: 17.72×10^-24 cm³; (8)Surface Tension: 58.4 dyne/cm; (9)Density: 1.34 g/cm³; (10)Flash Point: 167.2 °C; (11)Enthalpy of Vaporization: 59.53 kJ/mol; (12)Boiling Point: 350.7 °C at 760 mmHg; (13)Vapour Pressure: 4.32E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C10H5NO2/c11-6-8-5-7-3-1-2-4-9(7)13-10(8)12/h1-5H
(2)InChIKey: QKJALQPLNMEDAV-UHFFFAOYAO
(3)Std. InChI: InChI=1S/C10H5NO2/c11-6-8-5-7-3-1-2-4-9(7)13-10(8)12/h1-5H
(4)Std. InChIKey: QKJALQPLNMEDAV-UHFFFAOYSA-N

Product Name

3-CYANOCOUMARIN

2H-1-Benzopyran-3-carbonitrile,2-oxo- Specification

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