3-Benzoyl-2-thiophenecarboxylic acid supplier

Name
3-BENZOYL-2-THIOPHENECARBOXYLIC ACID
EINECS
CAS No. 30006-03-2
Article Data1
CAS DataBase
Density 1.37 g/cm³
Solubility
Melting Point 86-89°C(lit.)
Formula C₁₂H₈O₃S
Boiling Point 451.6 °C at 760 mmHg
Molecular Weight 232.26
Flash Point 226.9 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms NSC 241104;
PSA 82.61000
LogP 2.67730

3-Benzoyl-2-thiophenecarboxylic acid Specification

The 2-Thiophenecarboxylicacid, 3-benzoyl-, with the CAS registry number 30006-03-2, is also known as NSC241104. This chemical's molecular formula is C₁₂H₈O₃S and molecular weight is 232.019415. Its IUPAC name is called 3-benzoylthiophene-2-carboxylic acid.

Physical properties of 2-Thiophenecarboxylicacid, 3-benzoyl-: (1)ACD/LogP: 1.98; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 3; (9)Index of Refraction: 1.643; (10)Molar Refractivity: 61.36 cm³; (11)Molar Volume: 169.5 cm³; (12)Surface Tension: 60.1 dyne/cm; (13)Density: 1.369 g/cm³; (14)Flash Point: 226.9 °C; (15)Enthalpy of Vaporization: 74.89 kJ/mol; (16)Boiling Point: 451.6 °C at 760 mmHg; (17)Vapour Pressure: 6.09E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=C(SC=C2)C(=O)O
(2)InChI: InChI=1S/C12H8O3S/c13-10(8-4-2-1-3-5-8)9-6-7-16-11(9)12(14)15/h1-7H,(H,14,15)
(3)InChIKey: ZKHLBCVFVQJMBT-UHFFFAOYSA-N

Product Name

3-BENZOYL-2-THIOPHENECARBOXYLIC ACID

3-Benzoyl-2-thiophenecarboxylic acid Specification

Related Products

Hot Products