4H-1-Benzopyran-4-one,3-bromo-6-fluoro- supplier

Name
3-BROMO-6-FLUOROCHROMONE
EINECS
CAS No. 179111-05-8
Article Data3
CAS DataBase
Density 1.818 g/cm³
Solubility
Melting Point 130-134 °C(lit.)
Formula C₉H₄BrFO₂
Boiling Point 279.7 °C at 760 mmHg
Molecular Weight 243.032
Flash Point 123 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Bromo-6-fluoro-4H-1-benzopyran-4-one;
PSA 30.21000
LogP 2.69460

4H-1-Benzopyran-4-one,3-bromo-6-fluoro- Specification

The 4H-1-Benzopyran-4-one,3-bromo-6-fluoro-, with the CAS registry number of 179111-05-8, is also known as 3-Bromo-6-fluoro-4H-1-benzopyran-4-one. Its molecular formula is C₉H₄BrFO₂ and molecular weight is 243.03. What's more, its systematic name is 3-Bromo-6-fluoro-4H-chromen-4-one. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the 4H-1-Benzopyran-4-one,3-bromo-6-fluoro- are: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 26.3 Å²; (7)Index of Refraction: 1.629; (8)Molar Refractivity: 47.54 cm³; (9)Molar Volume: 133.6 cm³; (10)Surface Tension: 53.8 dyne/cm; (11)Density: 1.818 g/cm³; (12)Flash Point: 123 °C; (13)Enthalpy of Vaporization: 51.84 kJ/mol; (14)Boiling Point: 279.7 °C at 760 mmHg; (15)Vapour Pressure: 0.00395 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc2ccc1O/C=C(/Br)C(=O)c1c2
(2) InChI: InChI=1/C9H4BrFO2/c10-7-4-13-8-2-1-5(11)3-6(8)9(7)12/h1-4H
(3) InChIKey: KASZNDJKYQAXNZ-UHFFFAOYAQ

Product Name

3-BROMO-6-FLUOROCHROMONE

4H-1-Benzopyran-4-one,3-bromo-6-fluoro- Specification

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