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5-Bromo-4-(4-ethylphenyl)pyrimidine - 98%, high purity , CAS No.951884-40-5
Discover 5-Bromo-4-(4-ethylphenyl)pyrimidine by Aladdin Scientific in 98% for only $413.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
5-Bromo-4-(4-ethylphenyl)pyrimidine | 951884-40-5 | DTXSID10650035 | BNB88440 | MFCD09800937 | AKOS015834345 | SB59029 | BS-23349 | CS-0205710 | J-517050
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrimidines
Alternative Parents
Halopyrimidines Benzene and substituted derivatives Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Halopyrimidine - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
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-bromo-4-(4-ethylphenyl)pyrimidine
INCHI
InChI=1S/C12H11BrN2/c1-2-9-3-5-10(6-4-9)12-11(13)7-14-8-15-12/h3-8H,2H2,1H3
InChIKey
TYXNSADRHQQYQW-UHFFFAOYSA-N
Smiles
CCC1=CC=C(C=C1)C2=NC=NC=C2Br
Isomeric SMILES
CCC1=CC=C(C=C1)C2=NC=NC=C2Br
PubChem CID
26369998
Molecular Weight
263.1
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
263.130 g/mol
XLogP3
3.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
262.011 Da
Monoisotopic Mass
262.011 Da
Topological Polar Surface Area
25.800 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
190.000
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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