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3,4-Dichloro-2-methylaniline - 95%, high purity , CAS No.62077-25-2
Discover 3,4-Dichloro-2-methylaniline by Aladdin Scientific in 95% for only $2,741.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
3,4-Dichloro-2-methylaniline | 62077-25-2 | Benzenamine, 3,4-dichloro-2-methyl- | 6-Amino-2,3-dichlorotoluene | SCHEMBL8282372 | DTXSID40606984 | MFCD11855814 | AKOS006343559 | BS-23015 | CS-0211700 | C90779 | A868564
Specifications & Purity
≥95%
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
Aniline and substituted anilines Aminotoluenes Aryl chlorides Primary amines Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aminotoluene - Aniline or substituted anilines - 1,2-dichlorobenzene - Toluene - Aryl halide - Aryl chloride - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - 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
3,4-dichloro-2-methylaniline
INCHI
InChI=1S/C7H7Cl2N/c1-4-6(10)3-2-5(8)7(4)9/h2-3H,10H2,1H3
InChIKey
NMIWDZYCBUCFON-UHFFFAOYSA-N
Smiles
CC1=C(C=CC(=C1Cl)Cl)N
Isomeric SMILES
CC1=C(C=CC(=C1Cl)Cl)N
Molecular Weight
176
Reaxy-Rn
2085702
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2085702&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
176.040 g/mol
XLogP3
2.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
174.996 Da
Monoisotopic Mass
174.996 Da
Topological Polar Surface Area
26.000 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
118.000
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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