2H-1-Benzopyran-3-carbonitrile,6-bromo-2-oxo- supplier

Name
6-BROMO-3-CYANOCOUMARIN
EINECS
CAS No. 76693-35-1
Article Data16
CAS DataBase
Density 1.78 g/cm³
Solubility
Melting Point
Formula C₁₀H₄BrNO₂
Boiling Point 403.4 °C at 760 mmHg
Molecular Weight 250.051
Flash Point 197.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Bromo-3-cyanocoumarin;
PSA 54.00000
LogP 2.42718

2H-1-Benzopyran-3-carbonitrile,6-bromo-2-oxo- Specification

The CAS register number of 2H-1-Benzopyran-3-carbonitrile,6-bromo-2-oxo- is 76693-35-1. It also can be called as 6-Bromo-3-cyanocoumarin and the systematic name about this chemical is 6-bromo-2-oxo-2H-chromene-3-carbonitrile. The molecular formula about this chemical is C₁₀H₄BrNO₂ and the molecular weight is 250.05.

Physical properties about 2H-1-Benzopyran-3-carbonitrile,6-bromo-2-oxo- are: (1)ACD/LogP: 2.59 ; (2)#H bond acceptors: 3; (3)Polar Surface Area: 50.09 Å²; (4)Index of Refraction: 1.671; (5)Molar Refractivity: 52.42 cm³; (6)Molar Volume: 140 cm³; (7)Polarizability: 20.78x10^-24cm³; (8)Surface Tension: 68.2 dyne/cm; (9)Density: 1.78 g/cm³; (10)Flash Point: 197.8 °C; (11)Enthalpy of Vaporization: 65.47 kJ/mol; (12)Boiling Point: 403.4 °C at 760 mmHg; (13)Vapour Pressure: 1.02E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc1OC(=O)C(/C#N)=C\c1c2
(2)InChI: InChI=1/C10H4BrNO2/c11-8-1-2-9-6(4-8)3-7(5-12)10(13)14-9/h1-4H
(3)InChIKey: YZLPNNZWVUIODB-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C10H4BrNO2/c11-8-1-2-9-6(4-8)3-7(5-12)10(13)14-9/h1-4H
(5)Std. InChIKey: YZLPNNZWVUIODB-UHFFFAOYSA-N

Product Name

6-BROMO-3-CYANOCOUMARIN

2H-1-Benzopyran-3-carbonitrile,6-bromo-2-oxo- Specification

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