Ethyl 5-bromothiophene-3-carboxylate supplier

Name
Ethyl 5-bromothiophene-3-carboxylate
EINECS
CAS No. 170355-38-1
Article Data5
CAS DataBase
Density 1.573 g/cm³
Solubility
Melting Point
Formula C₇H₇BrO₂S
Boiling Point 261.07 °C at 760 mmHg
Molecular Weight 235.101
Flash Point 111.692 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl 5-bromothiophene-3-carboxylate
PSA 54.54000
LogP 2.68730

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

Product Name

Ethyl 5-bromothiophene-3-carboxylate

Ethyl 5-bromothiophene-3-carboxylate Specification

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