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58267-85-9

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Basic Information
CAS No.: 58267-85-9
Name: 4-BROMOTHIOPHENE-2-CARBOXALDEHYDE ETHYLENE GLYCOL ACETAL
Article Data: 11
Molecular Structure:
Molecular Structure of 58267-85-9 (4-BROMOTHIOPHENE-2-CARBOXALDEHYDE ETHYLENE GLYCOL ACETAL)
Formula: C7H7BrO2S
Molecular Weight: 235.101
Synonyms: 2-(4-Bromo-2-thienyl)-1,3-dioxolane;
Density: 1.671 g/cm3
Boiling Point: 290.8 °C at 760 mmHg
Flash Point: 129.7 °C
Hazard Symbols: IrritantXi
PSA: 46.70000
LogP: 2.55600
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Specification

The 1, 3-Dioxolane, 2-(4-bromo-2-thienyl)-, with the CAS registry number of 58267-85-9, is also known as 4-Bromothiophene-2-carboxaldehyde ethylene glycol acetal. It belongs to the product categories of Building Blocks; Halogenated; Thiophene. This chemical's molecular formula is C7H7BrO2S and molecular weight is 235.1. What's more, its systematic name is called 2-(4-Bromothiophen-2-yl)-1, 3-dioxolane.

Physical properties about 1, 3-Dioxolane, 2-(4-bromo-2-thienyl)- are: (1)ACD/LogP: 2.03; (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: 46.7 Å2; (7)Index of Refraction: 1.591; (8)Molar Refractivity: 47.56 cm3; (9)Molar Volume: 140.6 cm3; (10)Surface Tension: 51.2 dyne/cm; (11)Density: 1.671 g/cm3; (12)Flash Point: 129.7 °C; (13)Enthalpy of Vaporization: 50.9 kJ/mol; (14)Boiling Point: 290.8 °C at 760 mmHg; (15)Vapour Pressure: 0.00352 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(sc1)C2OCCO2
(2) InChI: InChI=1/C7H7BrO2S/c8-5-3-6(11-4-5)7-9-1-2-10-7/h3-4,7H,1-2H2
(3) InChIKey: GDNOSUAFGZBAOR-UHFFFAOYAJ