3-Chloro-N,2-dimethylaniline, HCl - ≥98% , CAS No.957062-82-7

CAS: 957062-82-7 Cat. No.: C188776 Peso molecular: 192.1 Número EC: 842-959-5

GRADE & PURITY ≥98%

Synonyms

3-Chloro-N,2-dimethylaniline--hydrogen chloride (1/1) | 3-Chloro-N,2-dimethylanilinehydrochloride | Z3013892307 | HBPRPSKNUFNRKO-UHFFFAOYSA-N | SCHEMBL1426197 | AKOS015910008 | DTXSID80657314 | 3-chloro-N,2-dimethylaniline,hydrochloride | EN300-7368270 |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

3-Chloro-N, 2-dimethylaniline--hydrogen chloride (1/1) | 3-Chloro-N, 2-dimethylanilinehydrochloride | Z3013892307 | HBPRPSKNUFNRKO-UHFFFAOYSA-N | SCHEMBL1426197 | AKOS015910008 | DTXSID80657314 | 3-chloro-N, 2-dimethylaniline, hydrochloride | EN300-7368270 |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1=C(C=CC=C1Cl)NC.Cl
• IUPAC Name: 3-chloro-N,2-dimethylaniline;hydrochloride
• InChIKey: HBPRPSKNUFNRKO-UHFFFAOYSA-N
• INCHI: 1S/C8H10ClN.ClH/c1-6-7(9)4-3-5-8(6)10-2;/h3-5,10H,1-2H3;1H
• Isómeros SMILES: CC1=C(C=CC=C1Cl)NC.Cl
• Peso molecular: 192.1
• Reaxy-Rn: 21279601
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21279601&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Toluenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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 Hydrochlorides 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 - Hydrochloride - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: 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.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 192.080 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 191.027 Da
• Monoisotopic Mass: 191.027 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 11
• 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: 2

XLogP3