3,3'-Dichloro-N,N'-bis(4-methoxybenzylidene)benzidine - ≥98%(T) , CAS No.3540-78-1

CAS: 3540-78-1 Cat. No.: D155314 Summenformel: C₂₈H₂₂Cl₂N₂O₂ Molekulargewicht: 489.40 EG-Nummer: 677-960-8

GRADE & PURITY ≥98%(T)

Synonyms

p-Dianisal-3,3'-dichlorobenzidine | 3,3'-Dichloro-4,4'-bis(p-methoxybenzylideneamino)biphenyl | AKOS015848855 | N-[2-chloro-4-[3-chloro-4-[(4-methoxyphenyl)methylideneamino]phenyl]phenyl]-1-(4-methoxyphenyl)methanimine | 3,3'-Dichloro-N,N'-bis(4-methoxybe

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

p-Dianisal-3,3'-dichlorobenzidine | 3,3'-Dichloro-4,4'-bis(p-methoxybenzylideneamino)biphenyl | AKOS015848855 | N-[2-chloro-4-[3-chloro-4-[(4-methoxyphenyl)methylideneamino]phenyl]phenyl]-1-(4-methoxyphenyl)methanimine | 3,3'-Dichloro-N,N'-bis(4-methoxybe

Spezifikationen & Reinheit

≥98%(T)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(T)

Namen und Kennungen

Kanonisches Lächeln

COC1=CC=C(C=C1)C=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=CC4=CC=C(C=C4)OC)Cl)Cl

IUPAC Name

N-[2-chloro-4-[3-chloro-4-[(4-methoxyphenyl)methylideneamino]phenyl]phenyl]-1-(4-methoxyphenyl)methanimine

InChIKey

JWTLKDNURNVSBN-UHFFFAOYSA-N

INCHI

1S/C28H22Cl2N2O2/c1-33-23-9-3-19(4-10-23)17-31-27-13-7-21(15-25(27)29)22-8-14-28(26(30)16-22)32-18-20-5-11-24(34-2)12-6-20/h3-18H,1-2H3

Isomere SMILES

COC1=CC=C(C=C1)C=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=CC4=CC=C(C=C4)OC)Cl)Cl

Molekulargewicht

489.40

Reaxy-Rn

2789311

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2789311&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives
        • Ebene5 Benzidines
          • Ebene6 3,3'-disubstituted benzidines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Benzidines
• Direct Parent: 3,3'-disubstituted benzidines
• Alternative Parents: Polychlorinated biphenyls Phenoxy compounds Methoxybenzenes Anisoles Chlorobenzenes Alkyl aryl ethers Aryl chlorides Shiff bases Propargyl-type 1,3-dipolar organic compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3,3'-disubstituted benzidine - Polychlorinated biphenyl - Chlorinated biphenyl - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Shiff base - Aldimine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Imine - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 3,3'-disubstituted benzidines. These are organic compounds containing a benzidine skeleton, which is substituted only at the 3- and 3'-positions.
• 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: 489.400 g/mol
• XLogP3: 7.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 488.106 Da
• Monoisotopic Mass: 488.106 Da
• Topological Polar Surface Area: 43.200 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 603.000
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 3540-78-1, the molecular formula is C28H22Cl2N2O2, and the molecular weight is 489.40 g/mol. InChIKey JWTLKDNURNVSBN-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.