2-Thiophenecarboxylicacid, 5-bromo-4-methyl- supplier

Name
5-Bromo-4-methylthiophene-2-carboxylic acid
EINECS
CAS No. 54796-53-1
Article Data8
CAS DataBase
Density 1.784 g/cm³
Solubility
Melting Point
Formula C₆H₅BrO₂S
Boiling Point 322.448 °C at 760 mmHg
Molecular Weight 221.075
Flash Point 148.812 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Bromo-4-methylthiophene-2-carboxylicacid;
PSA 65.54000
LogP 2.51720

2-Thiophenecarboxylicacid, 5-bromo-4-methyl- Specification

The 2-Thiophenecarboxylicacid, 5-bromo-4-methyl-, with the CAS registry number 54796-53-1, is also known as EN001193. This chemical's molecular formula is C₆H₅BrO₂S and molecular weight is 219.919363. Its IUPAC name is called 5-bromo-4-methylthiophene-2-carboxylic acid.

Physical properties of 2-Thiophenecarboxylicacid, 5-bromo-4-methyl-: (1)ACD/LogP: 3.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 27; (8)ACD/KOC (pH 7.4): 2; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.63; (13)Molar Refractivity: 44.082 cm³; (14)Molar Volume: 123.902 cm³; (15)Surface Tension: 57.171 dyne/cm; (16)Density: 1.784 g/cm³; (17)Flash Point: 148.812 °C; (18)Enthalpy of Vaporization: 59.572 kJ/mol; (19)Boiling Point: 322.448 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(SC(=C1)C(=O)O)Br
(2)InChI: InChI=1S/C6H5BrO2S/c1-3-2-4(6(8)9)10-5(3)7/h2H,1H3,(H,8,9)
(3)InChIKey: HSHPZFSEXMTXSY-UHFFFAOYSA-N

Product Name

5-Bromo-4-methylthiophene-2-carboxylic acid

2-Thiophenecarboxylicacid, 5-bromo-4-methyl- Specification

Related Products

Hot Products