4-(3,4-Dichlorophenoxy)aniline - ≥98% , CAS No.67651-53-0

CAS: 67651-53-0 Cat. No.: D334705 Formule: C₁₂H₉Cl₂NO Poids moléculaire: 254.12

GRADE & PURITY ≥98%

Synonyms

4-(3,4-Dichlorophenoxy)aniline | F78831 | PS-7433 | 4-(3,4-Dichlorophenoxy)benzenamine | DTXSID30504142 | 4-(3,4-dichlorophenoxy)aniline, AldrichCPR | MFCD00459613 | AKOS009159009 | BRHDZZRNYSNPSO-UHFFFAOYSA-N | SCHEMBL632533

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

4-(3,4-Dichlorophenoxy)aniline | F78831 | PS-7433 | 4-(3,4-Dichlorophenoxy)benzenamine | DTXSID30504142 | 4-(3,4-dichlorophenoxy)aniline, AldrichCPR | MFCD00459613 | AKOS009159009 | BRHDZZRNYSNPSO-UHFFFAOYSA-N | SCHEMBL632533

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504767169
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767169
• Sourires canoniques: C1=CC(=CC=C1N)OC2=CC(=C(C=C2)Cl)Cl
• IUPAC Name: 4-(3,4-dichlorophenoxy)aniline
• InChIKey: BRHDZZRNYSNPSO-UHFFFAOYSA-N
• INCHI: 1S/C12H9Cl2NO/c13-11-6-5-10(7-12(11)14)16-9-3-1-8(15)2-4-9/h1-7H,15H2
• Isomères SMILES: C1=CC(=CC=C1N)OC2=CC(=C(C=C2)Cl)Cl
• Numéro ONU: 1759
• Groupe d'emballage: III
• Poids moléculaire: 254.12
• Reaxy-Rn: 6292343
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6292343&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers Dichlorobenzenes Aniline and substituted anilines Aryl chlorides Primary amines Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - 1,2-dichlorobenzene - Phenol ether - Aniline or substituted anilines - Phenoxy compound - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Ether - Primary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether 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

Propriétés chimiques et physiques

• Poids moléculaire: 254.110 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 253.006 Da
• Monoisotopic Mass: 253.006 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 219.000
• 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