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2,4-Dichloroquinazoline - 95%, high purity , CAS No.607-68-1
Basic Description
Synonyms
2,4-dichloroquinazoline | 607-68-1 | 2,4-dichloro-quinazoline | Quinazoline, 2,4-dichloro- | MFCD00091950 | dichloroquinazoline | NSC75192 | 2,4dichloroquinazoline | 2,4-Dichloroquinazoline; | 2, 4-dichloro-quinazoline | SCHEMBL92707 | DTXSID30291383 | TUQSVSYUEBNNKQ-UHFFFAOYSA-
Specifications & Purity
≥95%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Not available
Direct Parent
Quinazolines
Alternative Parents
2-halopyrimidines Benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinazoline - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Benzenoid - Pyrimidine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
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
Pubchem Sid
504758133
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504758133
IUPAC Name
2,4-dichloroquinazoline
INCHI
InChI=1S/C8H4Cl2N2/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H
InChIKey
TUQSVSYUEBNNKQ-UHFFFAOYSA-N
Smiles
C1=CC=C2C(=C1)C(=NC(=N2)Cl)Cl
Isomeric SMILES
C1=CC=C2C(=C1)C(=NC(=N2)Cl)Cl
Molecular Weight
199
Reaxy-Rn
132192
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=132192&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
199.030 g/mol
XLogP3
3.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
197.975 Da
Monoisotopic Mass
197.975 Da
Topological Polar Surface Area
25.800 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
165.000
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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