1-(5-Bromothiophen-3-yl)ethanone supplier

Name
1-(5-Bromothiophen-3-yl)ethanone
EINECS
CAS No. 59227-67-7
Article Data7
CAS DataBase
Density 1.619 g/cm³
Solubility
Melting Point 63-64 °C
Formula C₆H₅BrOS
Boiling Point 258.695 °C at 760 mmHg
Molecular Weight 205.075
Flash Point 110.255 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(5-Bromo-3-thienyl)ethanone;3-Acetyl-5-bromothiophene;4-Acetyl-2-bromothiophene;Ethanone, 1-(5-bromo-3-thienyl)-;
PSA 45.31000
LogP 2.71320

1-(5-Bromothiophen-3-yl)ethanone Specification

This product is an organic compound with the formula C₆H₅BrOS. The systematic name of this chemical is 1-(5-Bromothiophen-3-yl)ethanone. With the CAS registry number 59227-67-7, it is also named as 3-Acetyl-5-bromothiophene. In addition, the molecular weight is 205.07.

Physical properties of 1-(5-Bromothiophen-3-yl)ethanone are: (1)ACD/LogP: 2.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 42; (6)ACD/BCF (pH 7.4): 42; (7)ACD/KOC (pH 5.5): 503; (8)ACD/KOC (pH 7.4): 503; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.31 Å²; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 42.355 cm³; (15)Molar Volume: 126.628 cm³; (16)Polarizability: 16.791×10^-24cm³; (17)Surface Tension: 43.989 dyne/cm; (18)Density: 1.619 g/cm³; (19)Flash Point: 110.255 °C; (20)Enthalpy of Vaporization: 49.631 kJ/mol; (21)Boiling Point: 258.695 °C at 760 mmHg; (22)Vapour Pressure: 0.014 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)c1csc(Br)c1
(2)InChI: InChI=1S/C6H5BrOS/c1-4(8)5-2-6(7)9-3-5/h2-3H,1H3
(3)InChIKey: BEDKDDPMXRCHPJ-UHFFFAOYSA-N

Product Name

1-(5-Bromothiophen-3-yl)ethanone

1-(5-Bromothiophen-3-yl)ethanone Specification

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