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2,5-Dichloro-N-methylaniline HCl - 98%, high purity , CAS No.1193389-58-0
Basic Description
Synonyms
2,5-dichloro-N-methylaniline hydrochloride | 1193389-58-0 | 2,5-Dichloro-N-methylaniline HCl | 2,5-dichloro-N-methylaniline;hydrochloride | 2,5-Dichloro-N-methylanilinehydrochloride | Benzenamine, 2,5-dichloro-N-methyl-, hydrochloride (1:1) | DTXSID40672563 | MFCD12197
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Chlorobenzenes
Direct Parent
Dichlorobenzenes
Alternative Parents
Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Aryl chlorides Organochlorides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylalkylamine - Aniline or substituted anilines - 1,4-dichlorobenzene - Secondary aliphatic/aromatic amine - Aryl halide - Aryl chloride - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
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
2,5-dichloro-N-methylaniline;hydrochloride
INCHI
InChI=1S/C7H7Cl2N.ClH/c1-10-7-4-5(8)2-3-6(7)9;/h2-4,10H,1H3;1H
InChIKey
VJYJHQCCZQKENF-UHFFFAOYSA-N
Smiles
CNC1=C(C=CC(=C1)Cl)Cl.Cl
Isomeric SMILES
CNC1=C(C=CC(=C1)Cl)Cl.Cl
PubChem CID
45791688
Molecular Weight
212.5
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
212.500 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
210.972 Da
Monoisotopic Mass
210.972 Da
Topological Polar Surface Area
12.000 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
108.000
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
2
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