5-Methylbenzo[b]thiophene-2-boronic acid

Base Information

• Chemical Name: 5-Methylbenzo[b]thiophene-2-boronic acid
• CAS No.: 136099-65-5
• Molecular Formula: C9H9BO2S
• Molecular Weight: 192.04
• Hs Code.: 2934999090
• UNII: G45937Q6VZ
• DSSTox Substance ID: DTXSID20383286
• Wikidata: Q72487989
• ChEMBL ID: CHEMBL238243
• Mol file: 136099-65-5.mol

Synonyms:5-methylbenzo[b]thiophene-2-boronic acid;136099-65-5;(5-methyl-1-benzothiophen-2-yl)boronic acid;5-METHYLBENZOTHIPHENE-2-BORONIC ACID;5-methylbenzo[b]thiophen-2-ylboronic acid;CHEMBL238243;G45937Q6VZ;5-Methylbenzo(B)thiophene-2-boronic acid;5-methyl-benzo[b]thiophen-2-ylboronic acid;B-(5-Methylbenzo(B)thien-2-yl)boronic acid;Boronic acid, B-(5-methylbenzo(B)thien-2-yl)-;5-methyl-1-benzothiophen-2-ylboronic acid;(5-methylbenzo[b]thiophen-2-yl)boronic acid;5-METHYLBENZOTHIOPHENE-2-BORONIC ACID;D00WZI;SCHEMBL289762;UNII-G45937Q6VZ;DTXSID20383286;DHNHZPQPQAINDI-UHFFFAOYSA-N;BDBM50225371;MFCD06200866;AKOS011560074;AB23067;PS-9458;5-methylbenzo[b]thiophene-2-boronicacid;PD182639;CS-0175860;FT-0643252;A22970;F82907;J-517803

Chemical Property of 5-Methylbenzo[b]thiophene-2-boronic acid

Chemical Property:

• Appearance/Colour: off-white solid
• Vapor Pressure: 4.21E-07mmHg at 25°C
• Melting Point: 100 °C
• Refractive Index: 1.648
• Boiling Point: 399.6 °C at 760 mmHg
• PKA: 7.06±0.30(Predicted)
• Flash Point: 195.5 °C
• PSA: 68.70000
• Density: 1.3 g/cm³
• LogP: 0.88950
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 192.0416309
• Heavy Atom Count: 13
• Complexity: 189

Purity/Quality:

98%min ^*data from raw suppliers

5-Methylbenzo[b]thiophene-2-boronic acid 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Harmful:

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC2=C(S1)C=CC(=C2)C)(O)O