4-Bromo-2-thiophene carboxylic acid

• CAS: 16694-18-1
• Catalog Number: ACM16694181
• Category: Bromine Series
• Molecular Weight: 207.04
• Molecular Formula: C₅H₃BrO₂S
• Synonyms: 2-Thiophenecarboxylic acid, 4-bromo-, 4-bromothiophene-2-carboxylic acid, ALBB-000933, CID610409, STK301696, 4-BROMO-2-THIOPHENECARBOXYLIC ACID, TL8001284, 16694-18-1
• IUPAC Name: 4-bromothiophene-2-carboxylic acid
• Canonical SMILES: C1=C(SC=C1Br)C(=O)O
• InChI Key: HJZFPRVFLBBAMU-UHFFFAOYSA-N
• Boiling Point: 323.742ºC at 760 mmHg
• Melting Point: 121ºC
• Flash Point: 149.594ºC
• Density: 1.924 g/cm³
• Appearance: white to light yellow crystal powder
• Exact Mass: 205.90400
• Hazard Statements: Xn:Harmful
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Safety Description: S22-S26-S36/37/39

Custom Q&A

What is the molecular formula of 4-Bromo-2-thiophene carboxylic acid?

The molecular formula is C5H3BrO2S.

What is the molecular weight of 4-Bromo-2-thiophene carboxylic acid?

The molecular weight is 207.05 g/mol.

What is the IUPAC name of 4-Bromo-2-thiophene carboxylic acid?

The IUPAC name is 4-bromothiophene-2-carboxylic acid.

What is the InChI of 4-Bromo-2-thiophene carboxylic acid?

The InChI is InChI=1S/C5H3BrO2S/c6-3-1-4(5(7)8)9-2-3/h1-2H,(H,7,8).

What is the InChIKey of 4-Bromo-2-thiophene carboxylic acid?

The InChIKey is HJZFPRVFLBBAMU-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Bromo-2-thiophene carboxylic acid?

The canonical SMILES is C1=C(SC=C1Br)C(=O)O.

What is the CAS number of 4-Bromo-2-thiophene carboxylic acid?

The CAS number is 16694-18-1.

What is the European Community (EC) number of 4-Bromo-2-thiophene carboxylic acid?

The European Community (EC) number is 679-544-1.

What is the DSSTox Substance ID of 4-Bromo-2-thiophene carboxylic acid?

The DSSTox Substance ID is DTXSID80346211.

Is 4-Bromo-2-thiophene carboxylic acid a canonicalized compound?

Yes, 4-Bromo-2-thiophene carboxylic acid is a canonicalized compound.