Name: 2,4-Dichloro-6-ethyl-1,3,5-triazine - ≥95% , CAS No.698-72-6
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Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Triazines
Subclass	1,3,5-triazines
Intermediate Tree Nodes	Halo-S-triazines
Direct Parent	Chloro-s-triazines
Alternative Parents	Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Chloro-s-triazine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as chloro-s-triazines. These are aromatic compounds containing a 1,3,5-triazine ring that is substituted at the 2-position with a chlorine atom.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	178.020 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	176.986 Da
Monoisotopic Mass	176.986 Da
Topological Polar Surface Area	38.700 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	101.000
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

Solution Calculators

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Reviews

Canonical Smiles	CCC1=NC(=NC(=N1)Cl)Cl
IUPAC Name	2,4-dichloro-6-ethyl-1,3,5-triazine
InChIKey	ADVXAMGGIRUOKU-UHFFFAOYSA-N
INCHI	1S/C5H5Cl2N3/c1-2-3-8-4(6)10-5(7)9-3/h2H2,1H3
Isomeric SMILES	CCC1=NC(=NC(=N1)Cl)Cl
Molecular Weight	178.02
Reaxy-Rn	127666
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=127666&ln=

2,4-Dichloro-6-ethyl-1,3,5-triazine - ≥95% , CAS No.698-72-6

Specifications