4H-1-Benzopyran-3-carbonitrile,6-bromo-4-oxo- supplier

Name
6-BROMO-3-CYANOCHROMONE
EINECS
CAS No. 52817-13-7
Article Data3
CAS DataBase
Density 1.78 g/cm³
Solubility
Melting Point 119 °C
Formula C₁₀H₄BrNO₂
Boiling Point 341.4 °C at 760 mmHg
Molecular Weight 250.051
Flash Point 160.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 6-Bromo-3-cyanochromone;
PSA 54.00000
LogP 2.42718

4H-1-Benzopyran-3-carbonitrile,6-bromo-4-oxo- Specification

The 4H-1-Benzopyran-3-carbonitrile,6-bromo-4-oxo-, with CAS registry number 52817-13-7, is also named as 6-Brom-4-oxo-4H-chromen-3-carbonitril. Its molecular formula is C₁₀H₄BrNO₂and its molecular weight is 250.04826. It belongs to the following product category Chromones. Moreover, the IUPAC name of this chemical is 6-bromo-4-oxochromene-3-carbonitrile.

Physical properties of 4H-1-Benzopyran-3-carbonitrile,6-bromo-4-oxo- are: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 50.09 Å²; (7)Index of Refraction: 1.671; (8)Molar Refractivity: 52.42 cm³; (9)Molar Volume: 140 cm³; (10)Polarizability: 20.78×10^-24cm³; (11)Surface Tension: 68.2 dyne/cm; (12)Density: 1.78 g/cm³; (13)Flash Point: 160.3 °C; (14)Enthalpy of Vaporization: 58.51 kJ/mol; (15)Boiling Point: 341.4 °C at 760 mmHg; (16)Vapour Pressure: 8.05E-05 mmHg at 25°C.

Uses of the 4H-1-Benzopyran-3-carbonitrile,6-bromo-4-oxo-: It can be used to produce 2-bromo-6H-5,13-dioxa-14-aza-benzo[a]naphthacen-8-one. This reaction will need reagent piperidine and solvent ethanol. The reaction time is 4 hours and its yield is about 68 %.

the 4H-1-Benzopyran-3-carbonitrile,6-bromo-4-oxo- can be used to produce 2-bromo-6H-5,13-dioxa-14-aza-benzo[a]naphthacen-8-one

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc1O/C=C(/C#N)C(=O)c1c2
(2)InChI: InChI=1/C10H4BrNO2/c11-7-1-2-9-8(3-7)10(13)6(4-12)5-14-9/h1-3,5H
(3)InChIKey: MGVVCEKLWMZFLS-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C10H4BrNO2/c11-7-1-2-9-8(3-7)10(13)6(4-12)5-14-9/h1-3,5H
(5)Std. InChIKey: MGVVCEKLWMZFLS-UHFFFAOYSA-N

Product Name

6-BROMO-3-CYANOCHROMONE

4H-1-Benzopyran-3-carbonitrile,6-bromo-4-oxo- Specification

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