trans-2-bromo-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole - ≥97% , CAS No.2268741-29-1

CAS: 2268741-29-1 Cat. No.: T632486 Molecular Weight: 282.11 PubChem CID: 162343521

GRADE & PURITY ≥97%

Synonyms

trans-2-bromo-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole | 2268741-29-1 | MFCD33022308 | D97025

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

trans-2-bromo-7-fluoro-5-phenyl-6, 7-dihydro-5H-pyrrolo[1, 2-b][1, 2, 4]triazole | 2268741-29-1 | MFCD33022308 | D97025

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1C(N2C(=NC(=N2)Br)C1F)C3=CC=CC=C3
• IUPAC Name: (5R,7S)-2-bromo-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
• InChIKey: SYIIYYDYEGITLS-DTWKUNHWSA-N
• INCHI: 1S/C11H9BrFN3/c12-11-14-10-8(13)6-9(16(10)15-11)7-4-2-1-3-5-7/h1-5,8-9H,6H2/t8-,9+/m0/s1
• PubChem CID: 162343521
• Molecular Weight: 282.11

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Pyrrolidines Heteroaromatic compounds Azoles Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Amidines Organopnictogen compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Monocyclic benzene moiety - Heteroaromatic compound - Pyrrolidine - Azole - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Amidine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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