4-Bromo-3-methylthiophenecarboxylic acid supplier

Name
4-Bromo-3-methylthiophenecarboxylic acid
EINECS
CAS No. 265652-39-9
Article Data6
CAS DataBase
Density 1.784 g/cm³
Solubility
Melting Point
Formula C₆H₅BrO₂S
Boiling Point 323.674 °C at 760 mmHg
Molecular Weight 221.07
Flash Point 149.553 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Bromo-3-methylthiophene-2-carboxylic acid;
PSA 65.54000
LogP 2.51720

4-Bromo-3-methylthiophenecarboxylic acid Specification

The 4-Bromo-3-methylthiophenecarboxylic acid, with the CAS registry number 265652-39-9, is also known as 2-Thiophenecarboxylic acid, 4-bromo-3-methyl-. It belongs to the product category of Thiophene & Benzothiophene. This chemical's molecular formula is C₆H₅BrO₂S and molecular weight is 221.07. What's more, both its IUPAC name and systematic name are the same which is called 4-Bromo-3-methylthiophene-2-carboxylic acid.

Physical properties about 4-Bromo-3-methylthiophenecarboxylic acid are: (1)ACD/LogP: 3.143; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.33; (4)ACD/LogD (pH 7.4): 0.10; (5)ACD/BCF (pH 5.5): 2.22; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 18.82; (8)ACD/KOC (pH 7.4): 1.09; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 65.54 Å²; (13)Index of Refraction: 1.63; (14)Molar Refractivity: 44.082 cm³; (15)Molar Volume: 123.902 cm³; (16)Polarizability: 17.476×10^-24cm³; (17)Surface Tension: 57.17 dyne/cm; (18)Density: 1.784 g/cm³; (19)Flash Point: 149.553 °C; (20)Enthalpy of Vaporization: 59.711 kJ/mol; (21)Boiling Point: 323.674 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1scc(Br)c1C
(2) InChI: InChI=1S/C6H5BrO2S/c1-3-4(7)2-10-5(3)6(8)9/h2H,1H3,(H,8,9)
(3) InChIKey: TUVDPNVBUMLEHW-UHFFFAOYSA-N

Product Name

4-Bromo-3-methylthiophenecarboxylic acid

4-Bromo-3-methylthiophenecarboxylic acid Specification

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