Ethanone,2-bromo-1-(5-chloro-2-benzofuranyl)- supplier

Name
2-BROMO-1-(5-CHLORO-1-BENZOFURAN-2-YL)ETHANONE
EINECS
CAS No. 7039-74-9
Article Data5
CAS DataBase
Density 1.677g/cm³
Solubility
Melting Point 122 °C(Solv: ethanol (64-17-5))
Formula C₁₀H₆BrClO₂
Boiling Point 340.8 °C at 760 mmHg
Molecular Weight 273.5104
Flash Point 159.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ketone,bromomethyl 5-chloro-2-benzofuranyl (7CI,8CI);2-Bromo-1-(5-chlorobenzo[b]furan-2-yl)ethanone;
PSA 30.21000
LogP 3.66380

Ethanone,2-bromo-1-(5-chloro-2-benzofuranyl)- Specification

The Ethanone,2-bromo-1-(5-chloro-2-benzofuranyl)-, with CAS registry number 7039-74-9, has the systematic name of 2-bromo-1-(5-chloro-1-benzofuran-2-yl)ethanone. And its IUPAC name is the same one. What's more, the chemical formula of this chemical is C₁₀H₆BrClO₂.

Physical properties of Ethanone,2-bromo-1-(5-chloro-2-benzofuranyl)-: (1)ACD/LogP: 3.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.24; (4)ACD/LogD (pH 7.4): 3.24; (5)ACD/BCF (pH 5.5): 169.86; (6)ACD/BCF (pH 7.4): 169.86; (7)ACD/KOC (pH 5.5): 1373.76; (8)ACD/KOC (pH 7.4): 1373.76; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 30.21 Å²; (13)Index of Refraction: 1.644; (14)Molar Refractivity: 59.04 cm³; (15)Molar Volume: 163 cm³; (16)Polarizability: 23.4×10^-24cm³; (17)Surface Tension: 52.2 dyne/cm; (18)Density: 1.677 g/cm³; (19)Flash Point: 159.9 °C; (20)Enthalpy of Vaporization: 58.43 kJ/mol; (21)Boiling Point: 340.8 °C at 760 mmHg; (22)Vapour Pressure: 8.42E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCC(=O)c2oc1ccc(Cl)cc1c2
(2)InChI: InChI=1/C10H6BrClO2/c11-5-8(13)10-4-6-3-7(12)1-2-9(6)14-10/h1-4H,5H2
(3)InChIKey: VPUBAVYOQQLHPM-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C10H6BrClO2/c11-5-8(13)10-4-6-3-7(12)1-2-9(6)14-10/h1-4H,5H2
(5)Std. InChIKey: VPUBAVYOQQLHPM-UHFFFAOYSA-N

Product Name

2-BROMO-1-(5-CHLORO-1-BENZOFURAN-2-YL)ETHANONE

Ethanone,2-bromo-1-(5-chloro-2-benzofuranyl)- Specification

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