Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4H-1-Benzopyran-4-one,3-bromo-6-fluoro- |
EINECS | N/A |
CAS No. | 179111-05-8 | Density | 1.818 g/cm3 |
PSA | 30.21000 | LogP | 2.69460 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
Safety | Risk Codes |
Xi:Irritant; |
|
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
3-Bromo-6-fluoro-4H-1-benzopyran-4-one; |
Article Data | 3 |
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