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2-Thiophenecarboxylic acid, 5-bromo-, methyl ester

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Name

2-Thiophenecarboxylic acid, 5-bromo-, methyl ester

EINECS N/A
CAS No. 62224-19-5 Density 1.662 g/cm3
PSA 54.54000 LogP 2.29720
Solubility N/A Melting Point 87-88℃
Formula C6H5BrO2S Boiling Point 251.868 °C at 760 mmHg
Molecular Weight 221.075 Flash Point 106.126 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 62224-19-5 (5-Bromo-thiophene-2-carboxylic acid methyl ester) Hazard Symbols N/A
Synonyms

2-Bromo-5-(methoxycarbonyl)thiophene;5-Bromothiophene-2-carboxylic acid methyl ester;Methyl 2-bromo-5-thiophenecarboxylate;Methyl 5-bromo-2-thiophenecarboxylate;

Article Data 58

2-Thiophenecarboxylic acid, 5-bromo-, methyl ester Specification

This chemical is called 2-Thiophenecarboxylic acid, 5-bromo-, methyl ester, and its CAS registry number is 62224-19-5. With the molecular formula of C6H5BrO2S, its molecular weight is 221.07. Additionally, its product category is API Intermediates.

Other characteristics of the 2-Thiophenecarboxylic acid, 5-bromo-, methyl ester can be summarised as followings: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.506; (4)ACD/LogD (pH 7.4): 2.506; (5)ACD/BCF (pH 5.5): 47.235; (6)ACD/BCF (pH 7.4): 47.235; (7)ACD/KOC (pH 5.5): 549.608; (8)ACD/KOC (pH 7.4): 549.608; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.54 Å2; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 44.101 cm3; (15)Molar Volume: 132.99 cm3; (16)Polarizability: 17.483×10-24cm3; (17)Surface Tension: 45.699 dyne/cm; (18)Density: 1.662 g/cm3; (19)Flash Point: 106.126 °C; (20)Enthalpy of Vaporization: 48.919 kJ/mol; (21)Boiling Point: 251.868 °C at 760 mmHg; (22)Vapour Pressure: 0.02 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: COC(=O)c1ccc(s1)Br
2.InChI: InChI=1/C6H5BrO2S/c1-9-6(8)4-2-3-5(7)10-4/h2-3H,1H3
3.InChIKey: QLWUHAQCKDHUNL-UHFFFAOYAZ

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