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4-bromo-1-(trifluoromethyl)-1H-pyrazole - 97%, high purity , CAS No.1046831-97-3
Discover 4-bromo-1-(trifluoromethyl)-1H-pyrazole by Aladdin Scientific in 97% for only $1,008.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4-bromo-1-(trifluoromethyl)-1H-pyrazole | 1046831-97-3 | 4-bromo-1-(trifluoromethyl)pyrazole | 1H-PYRAZOLE, 4-BROMO-1-(TRIFLUOROMETHYL)- | MFCD27988093 | 4-BroMo-1-trifluoroMethyl-1H-pyrazole | 4-?bromo-?1-?(trifluoromethyl)?-?1H-?pyrazole | SCHEMBL2753220 | DTXSID701279
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organohalogen compounds
Class
Aryl halides
Subclass
Aryl bromides
Intermediate Tree Nodes
Not available
Direct Parent
Aryl bromides
Alternative Parents
Pyrazoles Heteroaromatic compounds Trihalomethanes Azacyclic compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl bromide - Azole - Pyrazole - Heteroaromatic compound - Trihalomethane - Azacycle - Organoheterocyclic compound - Alkyl halide - Organonitrogen compound - Organofluoride - Organobromide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Halomethane - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl bromides. These are organic compounds containing the acyl bromide functional group.
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.
Names and Identifiers
IUPAC Name
4-bromo-1-(trifluoromethyl)pyrazole
INCHI
InChI=1S/C4H2BrF3N2/c5-3-1-9-10(2-3)4(6,7)8/h1-2H
InChIKey
OPOXCQUYNYTHDA-UHFFFAOYSA-N
Smiles
C1=C(C=NN1C(F)(F)F)Br
Isomeric SMILES
C1=C(C=NN1C(F)(F)F)Br
Molecular Weight
214.973
Reaxy-Rn
18505459
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18505459&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
214.970 g/mol
XLogP3
2.000
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
213.935 Da
Monoisotopic Mass
213.935 Da
Topological Polar Surface Area
17.800 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
126.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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