Dimethyl yellow - analytical standard, ≥98%(HPLC) , CAS No.60-11-7

CAS: 60-11-7 Cat. No.: D118529 Molecular Weight: 225.29 Beilstein Registry Number: 746016 EC Number: 200-455-7

GRADE & PURITY Analytical standard, ≥98%(HPLC)

Synonyms

DAB (carcinogen) | Dimethyl Yellow N,N-Dimethylaniline | Fat Yellow | AI3-08903 | Benzenamine, N,N-dimethyl-4-(2-phenyldiazenyl)- | Dimethyl Yellow Analar | NSC6236 | NSC-6236 | N,N-Dimethyl-4-phenylazo benzenamine | EINECS 200-455-7 | JCYPECIVGRXBMO-FOCL

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

DAB (carcinogen) | Dimethyl Yellow N, N-Dimethylaniline | Fat Yellow | AI3-08903 | Benzenamine, N, N-dimethyl-4-(2-phenyldiazenyl)- | Dimethyl Yellow Analar | NSC6236 | NSC-6236 | N, N-Dimethyl-4-phenylazo benzenamine | EINECS 200-455-7 | JCYPECIVGRXBMO-FOCL

Specifications & Purity

analytical standard, ≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Grade

Analytical standard

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2
• IUPAC Name: N,N-dimethyl-4-phenyldiazenylaniline
• InChIKey: JCYPECIVGRXBMO-UHFFFAOYSA-N
• INCHI: 1S/C14H15N3/c1-17(2)14-10-8-13(9-11-14)16-15-12-6-4-3-5-7-12/h3-11H,1-2H3
• Isomeric SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2
• WGK Germany: 3
• RTECS: BX7350000
• UN Number: 2811
• Packing Group: I
• Molecular Weight: 225.29
• Beilstein: 746016
• Reaxy-Rn: 746016
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=746016&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azobenzenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azobenzenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azobenzenes
• Alternative Parents: Dialkylarylamines Aniline and substituted anilines Azo compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Azobenzene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Azo compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as azobenzenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to a benzene ring.
• External Descriptors: a dye

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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive.
• Melt Point(°C): 114-117°C
• Molecular Weight: 225.290 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 225.127 Da
• Monoisotopic Mass: 225.127 Da
• Topological Polar Surface Area: 28.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 236.000
• 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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