4-bromo-3-(difluoromethoxy)-1-methyl-pyrazole - ≥97% , CAS No.2665661-07-2

CAS: 2665661-07-2 Cat. No.: B633280 Molecular Weight: 227.01 PubChem CID: 155387577

GRADE & PURITY ≥97%

Synonyms

4-bromo-3-(difluoromethoxy)-1-methyl-pyrazole | 4-BROMO-3-(DIFLUOROMETHOXY)-1-METHYL-1H-PYRAZOLE | MFCD32862081 | D79455 | 2665661-07-2

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

4-bromo-3-(difluoromethoxy)-1-methyl-pyrazole | 4-BROMO-3-(DIFLUOROMETHOXY)-1-METHYL-1H-PYRAZOLE | MFCD32862081 | D79455 | 2665661-07-2

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CN1C=C(C(=N1)OC(F)F)Br
• IUPAC Name: 4-bromo-3-(difluoromethoxy)-1-methylpyrazole
• InChIKey: NMECJUJJENNFIU-UHFFFAOYSA-N
• INCHI: 1S/C5H5BrF2N2O/c1-10-2-3(6)4(9-10)11-5(7)8/h2,5H,1H3
• PubChem CID: 155387577
• Molecular Weight: 227.01

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Azole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as azoles. These are organic compounds comprising a five-member nitrogen heterocyclic ring containing at least one other non-carbon atom of either nitrogen, sulfur, or oxygen. The parent compounds are aromatic and have two double bonds; there are successively reduced analogs (azolines and azolidines) with fewer.
• 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