5-Bromobenzofuran-3-one supplier

Name
5-BROMO-BENZOFURAN-3-ONE
EINECS
CAS No. 3260-78-4
Article Data16
CAS DataBase
Density 1.428 g/cm³
Solubility
Melting Point 123-123.5 °C
Formula C₈H₅ClO₂
Boiling Point 304.337 °C at 760 mmHg
Molecular Weight 168.579
Flash Point 145.621 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-chloro-2-hydrobenzo[b]furan-3-one;6-Chloro-3-benzofuranone;
PSA 26.30000
LogP 1.91510

5-Bromobenzofuran-3-one Specification

The 6-Chlorobenzofuran-3(2H)-one, with CAS registry number 3260-78-4, has the systematic name of 6-chlorobenzofuran-3-one. Besides this, it is also called 3(2H)-benzofuranone, 6-chloro-. And the chemical formula of this chemical is C₈H₅ClO₂. Its molecular weight is 213.03.

Physical properties of 6-Chlorobenzofuran-3(2H)-one: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.513; (4)ACD/LogD (pH 7.4): 2.513; (5)ACD/BCF (pH 5.5): 47.858; (6)ACD/BCF (pH 7.4): 47.858; (7)ACD/KOC (pH 5.5): 554.785; (8)ACD/KOC (pH 7.4): 554.785; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 40.446 cm³; (15)Molar Volume: 118.016 cm³; (16)Polarizability: 16.034×10^-24cm³; (17)Surface Tension: 50.814 dyne/cm; (18)Enthalpy of Vaporization: 54.47 kJ/mol; (19)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Cl)OCC2=O
(2)InChI: InChI=1/C8H5ClO2/c9-5-1-2-6-7(10)4-11-8(6)3-5/h1-3H,4H2
(3)InChIKey: QSYZLDHZMYWEKL-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C8H5ClO2/c9-5-1-2-6-7(10)4-11-8(6)3-5/h1-3H,4H2
(5)Std. InChIKey: QSYZLDHZMYWEKL-UHFFFAOYSA-N

Product Name

5-BROMO-BENZOFURAN-3-ONE

5-Bromobenzofuran-3-one Specification

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