4-bromo-5-fluoro-benzothiophene-2-carboxylic acid - ≥97% , CAS No.826995-59-9

CAS: 826995-59-9 Cat. No.: B634609 Molecular Weight: 275.09 PubChem CID: 71417896

GRADE & PURITY ≥97%

Synonyms

4-Bromo-5-fluorobenzo[b]thiophene-2-carboxylic acid | SY322604 | DTXSID90837226 | 4-bromo-5-fluoro-benzothiophene-2-carboxylic acid | 4-Bromo-5-fluoro-1-benzothiophene-2-carboxylic acid | AT32945 | Benzo[b]thiophene-2-carboxylic acid, 4-bromo-5-fluoro- |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

4-Bromo-5-fluorobenzo[b]thiophene-2-carboxylic acid | SY322604 | DTXSID90837226 | 4-bromo-5-fluoro-benzothiophene-2-carboxylic acid | 4-Bromo-5-fluoro-1-benzothiophene-2-carboxylic acid | AT32945 | Benzo[b]thiophene-2-carboxylic acid, 4-bromo-5-fluoro- |

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CC2=C(C=C(S2)C(=O)O)C(=C1F)Br
• IUPAC Name: 4-bromo-5-fluoro-1-benzothiophene-2-carboxylic acid
• InChIKey: BJQKOKOETMCVLV-UHFFFAOYSA-N
• INCHI: 1S/C9H4BrFO2S/c10-8-4-3-7(9(12)13)14-6(4)2-1-5(8)11/h1-3H,(H,12,13)
• Isomeric SMILES: C1=CC2=C(C=C(S2)C(=O)O)C(=C1F)Br
• Alternate CAS: 826995-59-9
• PubChem CID: 71417896
• Molecular Weight: 275.09

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzothiophenes
      • Subclass 1-benzothiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzothiophenes
• Subclass: 1-benzothiophenes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-benzothiophenes
• Alternative Parents: Thiophene carboxylic acids 2,3,5-trisubstituted thiophenes Benzenoids Aryl fluorides Aryl bromides Heteroaromatic compounds Carboxylic acids Organooxygen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-benzothiophene - Thiophene carboxylic acid - 2,3,5-trisubstituted thiophene - Thiophene carboxylic acid or derivatives - Aryl bromide - Aryl fluoride - Aryl halide - Benzenoid - Heteroaromatic compound - Thiophene - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organofluoride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y