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5-(4-Bromophenyl)-1-methylimidazole - 95%, high purity , CAS No.136350-71-5
Discover 5-(4-Bromophenyl)-1-methylimidazole by Aladdin Scientific in 95% for only $790.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
5-(4-Bromophenyl)-1-methylimidazole | 136350-71-5 | 5-(4-Bromophenyl)-1-methyl-1H-imidazole | 1H-Imidazole, 5-(4-bromophenyl)-1-methyl- | MFCD18375271 | SCHEMBL9668415 | DTXSID901279049 | AKOS022183162 | AS-32201 | SY012402 | CS-0208309 | FT-0733732 | A886694
Specifications & Purity
≥95%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Imidazoles
Intermediate Tree Nodes
Substituted imidazoles
Direct Parent
Phenylimidazoles
Alternative Parents
Bromobenzenes N-substituted imidazoles Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylimidazole - 5-phenylimidazole - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Heteroaromatic compound - Azacycle - Organobromide - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
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
5-(4-bromophenyl)-1-methylimidazole
INCHI
InChI=1S/C10H9BrN2/c1-13-7-12-6-10(13)8-2-4-9(11)5-3-8/h2-7H,1H3
InChIKey
GBRRZXCIOPPVND-UHFFFAOYSA-N
Smiles
CN1C=NC=C1C2=CC=C(C=C2)Br
Isomeric SMILES
CN1C=NC=C1C2=CC=C(C=C2)Br
Molecular Weight
237.1
Reaxy-Rn
33540426
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33540426&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
237.100 g/mol
XLogP3
2.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
235.995 Da
Monoisotopic Mass
235.995 Da
Topological Polar Surface Area
17.800 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
166.000
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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