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3-Chloro-N,2-dimethylaniline - 98%, high purity , CAS No.41456-52-4
Discover 3-Chloro-N,2-dimethylaniline by Aladdin Scientific in 98% for only $573.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
3-chloro-n,2-dimethylaniline | 41456-52-4 | 3-Chloro-2,N-dimethylaniline | SCHEMBL9232217 | DTXSID80562232 | MFCD10687534 | AKOS000250477 | BS-28275 | EN300-1254100
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Not available
Direct Parent
Aminotoluenes
Alternative Parents
Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Chlorobenzenes Aryl chlorides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aniline or substituted anilines - Phenylalkylamine - Aminotoluene - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Secondary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino group.
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
3-chloro-N,2-dimethylaniline
INCHI
InChI=1S/C8H10ClN/c1-6-7(9)4-3-5-8(6)10-2/h3-5,10H,1-2H3
InChIKey
XAEPSTFCZJTYLE-UHFFFAOYSA-N
Smiles
CC1=C(C=CC=C1Cl)NC
Isomeric SMILES
CC1=C(C=CC=C1Cl)NC
Molecular Weight
155.6
Reaxy-Rn
3081875
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3081875&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
155.620 g/mol
XLogP3
2.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
155.05 Da
Monoisotopic Mass
155.05 Da
Topological Polar Surface Area
12.000 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
105.000
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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