CAS No.52817-13-7,6-BROMO-3-CYANOCHROMONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	52817-13-7
Name:	6-BROMO-3-CYANOCHROMONE
Article Data:	3

Formula:	C₁₀H₄BrNO₂
Molecular Weight:	250.051
Synonyms:	6-Bromo-3-cyanochromone;
Density:	1.78 g/cm³
Melting Point:	119 °C
Boiling Point:	341.4 °C at 760 mmHg
Flash Point:	160.3 °C
Hazard Symbols:	Xi
PSA:	54.00000
LogP:	2.42718

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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