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38220-75-6

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Basic Information
CAS No.: 38220-75-6
Name: 1-(5-Bromo-1-benzofuran-2-yl)ethanone
Article Data: 26
Molecular Structure:
Molecular Structure of 38220-75-6 (1-(5-Bromo-1-benzofuran-2-yl)ethanone)
Formula: C10H7BrO2
Molecular Weight: 239.068
Synonyms: 2-Acetyl-5-bromobenzofuran;Ethanone, 1-(5-bromo-2-benzofuranyl)-;2-Acetyl-5-bromobenzo[b]furan;
Density: 1.551 g/cm3
Melting Point: 111 °C
Boiling Point: 314.4 °C at 760 mmHg
Flash Point: 144 °C
Hazard Symbols: Xn
Risk Codes: 22-36
Safety: 26
PSA: 30.21000
LogP: 3.39790
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Specification

This product is an organic compound with the formula C10H7BrO2. The systematic name of this chemical is 1-(5-Bromo-1-benzofuran-2-yl)ethanone. With the CAS registry number 38220-75-6, it is also named as 2-Acetyl-5-bromobenzofuran. In addition, the molecular weight is 239.07. It should be sealed and stored in a cool and dry place.

Physical properties of 1-(5-Bromo-1-benzofuran-2-yl)ethanone are: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 30.21 Å2; (7)Index of Refraction: 1.619; (8)Molar Refractivity: 54.11 cm3; (9)Molar Volume: 154 cm3; (10)Polarizability: 21.45×10-24cm3; (11)Surface Tension: 45.7 dyne/cm; (12)Density: 1.551 g/cm3; (13)Flash Point: 144 °C; (14)Enthalpy of Vaporization: 55.56 kJ/mol; (15)Boiling Point: 314.4 °C at 760 mmHg; (16)Vapour Pressure: 0.000467 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2cc1c(oc(c1)C(=O)C)cc2
(2)InChI: InChI=1S/C10H7BrO2/c1-6(12)10-5-7-4-8(11)2-3-9(7)13-10/h2-5H,1H3
(3)InChIKey: YPIQPBGNNXXKNI-UHFFFAOYSA-N