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Ethyl 5-bromothiophene-3-carboxylate

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Name

Ethyl 5-bromothiophene-3-carboxylate

EINECS N/A
CAS No. 170355-38-1 Density 1.573 g/cm3
PSA 54.54000 LogP 2.68730
Solubility N/A Melting Point N/A
Formula C7H7BrO2S Boiling Point 261.07 °C at 760 mmHg
Molecular Weight 235.101 Flash Point 111.692 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 170355-38-1 (Ethyl 5-bromothiophene-3-carboxylate) Hazard Symbols N/A
Synonyms

Ethyl 5-bromothiophene-3-carboxylate

Article Data 5

Ethyl 5-bromothiophene-3-carboxylate Specification

The Ethyl 5-bromothiophene-3-carboxylate, with the CAS registry number 170355-38-1, is also known as 5-Bromo-thiophene-3-carboxylic acid ethyl ester. This chemical's molecular formula is C7H7BrO2S and molecular weight is 235.10. What's more, its IUPAC name is the same with its product name.

Physical properties about Ethyl 5-bromothiophene-3-carboxylate are: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 141; (6)ACD/BCF (pH 7.4): 141; (7)ACD/KOC (pH 5.5): 1204; (8)ACD/KOC (pH 7.4): 1204; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 54.54 Å2; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 48.733 cm3; (15)Molar Volume: 149.497 cm3; (16)Surface Tension: 44.243 dyne/cm; (17)Density: 1.573 g/cm3; (18)Flash Point: 111.692 °C; (19)Enthalpy of Vaporization: 49.879 kJ/mol; (20)Boiling Point: 261.07 °C at 760 mmHg; (21)Vapour Pressure: 0.012 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1csc(Br)c1
(2) InChI: InChI=1S/C7H7BrO2S/c1-2-10-7(9)5-3-6(8)11-4-5/h3-4H,2H2,1H3
(3) InChIKey: LUYMKCLOYODOEI-UHFFFAOYSA-N

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