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1,4-bis(1H-pyrazol-4-yl)benzene - 98%, high purity , CAS No.1036248-62-0
Discover 1,4-bis(1H-pyrazol-4-yl)benzene by Aladdin Scientific in 98% for only $687.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1,4-di(1H-pyrazol-4-yl)benzene | 1036248-62-0 | 4-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole | H2bpzb | 4-(4-(1H-pyrazol-4-yl)phenyl)-1H-pyrazole | MFCD23704797 | 1,4-Di(4'-pyrazolyl)benzene | YSWG116 | 1,4-Di(4-pyrazolyl)benzene | SCHEMBL16432987 | 1,4-bis(1h-pyrazol-4-yl)benz
Specifications & Purity
≥98%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Pyrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrazoles
Alternative Parents
Benzene and substituted derivatives Heteroaromatic compounds Hydrazones Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpyrazole - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Hydrazone - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl 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-[4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole
INCHI
InChI=1S/C12H10N4/c1-2-10(12-7-15-16-8-12)4-3-9(1)11-5-13-14-6-11/h1-8H,(H,13,14)(H,15,16)
InChIKey
RUGLQPNWHSDVER-UHFFFAOYSA-N
Smiles
C1=CC(=CC=C1C2=CNN=C2)C3=CNN=C3
Isomeric SMILES
C1=CC(=CC=C1C2=CNN=C2)C3=CNN=C3
Molecular Weight
210.24
Reaxy-Rn
11144319
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11144319&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
210.230 g/mol
XLogP3
1.800
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
210.091 Da
Monoisotopic Mass
210.091 Da
Topological Polar Surface Area
57.400 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
201.000
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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