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32412-39-8

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Basic Information
CAS No.: 32412-39-8
Name: 1-(5-BROMO-THIOPHEN-2-YL)-PROPAN-1-ONE
Article Data: 9
Molecular Structure:
Molecular Structure of 32412-39-8 (1-(5-BROMO-THIOPHEN-2-YL)-PROPAN-1-ONE)
Formula: C7H7BrOS
Molecular Weight: 219.102
Synonyms: 1-(5-Bromothiophen-2-yl)propan-1-one;NSC 80373;5-Bromo-2-thienylethylketone;1-(5-bromo-2-thienyl)-1-propanone;
Density: 1.53 g/cm3
Boiling Point: 291.2 °C at 760 mmHg
Flash Point: 129.9 °C
Hazard Symbols: IrritantXi
Risk Codes: 36
Safety: 26
PSA: 45.31000
LogP: 3.10330
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Specification

The 1-Propanone,1-(5-bromo-2-thienyl)-, with the CAS registry number 32412-39-8, has the systematic name of 1-(5-bromothiophen-2-yl)propan-1-one. It is also called 5-Bromo-2-thienylethylketone. And the molecular formula of this chemical is C7H7BrOS.

The physical properties of 1-Propanone,1-(5-bromo-2-thienyl)- are as following: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 45.31 Å2; (7)Index of Refraction: 1.57; (8)Molar Refractivity: 46.98 cm3; (9)Molar Volume: 143.1 cm3; (10)Polarizability: 18.62×10-24cm3; (11)Surface Tension: 42.7 dyne/cm; (12)Density: 1.53 g/cm3; (13)Flash Point: 129.9 °C; (14)Enthalpy of Vaporization: 53.07 kJ/mol; (15)Boiling Point: 291.2 °C at 760 mmHg; (16)Vapour Pressure: 0.00197 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1sc(Br)cc1)CC
(2)Std. InChI: InChI=1S/C7H7BrOS/c1-2-5(9)6-3-4-7(8)10-6/h3-4H,2H2,1H3
(3)Std. InChIKey: JQAYKLHWCBPAEX-UHFFFAOYSA-N