3,5-Dichloro-4-methylaniline - ≥98% , CAS No.54730-35-7

CAS: 54730-35-7 Cat. No.: D185141 Summenformel: C₇H₇Cl₂N Molekulargewicht: 176.04

QUALITÄT & REINHEIT ≥98%

Synonyms

SCHEMBL1752160 | 3,5-dichloro-4-methyl aniline | A7959 | EN300-55099 | benzenamine, 3,5-dichloro-4-methyl- | FT-0686967 | AKOS006238565 | Z825081120 | DTXSID30348861 | CL8410 | J-511293 | MFCD00266300 | 3,5-dichloro-4-methylaniline | GTEUMCIATAHZFK-UHFFFA

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Spezifikationen

Synonyme

SCHEMBL1752160 | 3,5-dichloro-4-methyl aniline | A7959 | EN300-55099 | benzenamine, 3,5-dichloro-4-methyl- | FT-0686967 | AKOS006238565 | Z825081120 | DTXSID30348861 | CL8410 | J-511293 | MFCD00266300 | 3,5-dichloro-4-methylaniline | GTEUMCIATAHZFK-UHFFFA

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Protected from light

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528757974

Kanonisches Lächeln

CC1=C(C=C(C=C1Cl)N)Cl

IUPAC Name

3,5-dichloro-4-methylaniline

InChIKey

GTEUMCIATAHZFK-UHFFFAOYSA-N

INCHI

1S/C7H7Cl2N/c1-4-6(8)2-5(10)3-7(4)9/h2-3H,10H2,1H3

Isomere SMILES

CC1=C(C=C(C=C1Cl)N)Cl

Molekulargewicht

176.04

Reaxy-Rn

2963472

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2963472&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Ebene5 Chlorobenzenes
          • Ebene6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aniline and substituted anilines Aminotoluenes Aryl chlorides Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminotoluene - Aniline or substituted anilines - 1,3-dichlorobenzene - Toluene - Aryl halide - Aryl chloride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic homomonocyclic compound
• Beschreibung: 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.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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: 106.000
• 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