Chloro[1,3-bis(2,4,6-trimethylphenyl)2H-imidazol-2-ylidene]gold(I) - ≥98% , CAS No.852445-81-9

CAS: 852445-81-9 Cat. No.: C283220 Molecular Weight: 536.85 EC Number: 812-277-2

GRADE & PURITY ≥98%

Synonyms

A914817 | AuCl(IMes) | [1,3-bis(2,4,6-trimethylphenyl)2H-imidazol-2-ylidene]gold(I)Chloro | [1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]-chlorogold | Chloro(1,3-dimesityl-1H-imidazol-2(3H)-ylidene)aurate(I) | CJB44581 | Chloro[1,3-bis(2,4,6-trimethy

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

A914817 | AuCl(IMes) | [1, 3-bis(2, 4, 6-trimethylphenyl)2H-imidazol-2-ylidene]gold(I)Chloro | [1, 3-bis(2, 4, 6-trimethylphenyl)imidazol-2-ylidene]-chlorogold | Chloro(1, 3-dimesityl-1H-imidazol-2(3H)-ylidene)aurate(I) | CJB44581 | Chloro[1, 3-bis(2, 4, 6-trimethy

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1=CC(=C(C(=C1)C)N2C=CN(C2=[Au]Cl)C3=C(C=C(C=C3C)C)C)C
• IUPAC Name: [1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]-chlorogold
• InChIKey: YFUIKJIITPMUAT-UHFFFAOYSA-M
• INCHI: 1S/C21H24N2.Au.ClH/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;;/h7-12H,1-6H3;;1H/q;+1;/p-1
• Isomeric SMILES: CC1=CC(=C(C(=C1)C)N2C=CN(C2=[Au]Cl)C3=C(C=C(C=C3C)C)C)C
• Molecular Weight: 536.85
• Reaxy-Rn: 17866202
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=17866202&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Imidazolines Organic transition metal salts Enamines Azacyclic compounds Hydrocarbon derivatives Carbenes
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aniline or substituted anilines - 4-imidazoline - Azacycle - Organic metal salt - Organic transition metal salt - Organoheterocyclic compound - Enamine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Carbene - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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

Chemical and Physical Properties

• Sensitivity: air sensitive
• Molecular Weight: 536.800 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 536.129 Da
• Monoisotopic Mass: 536.129 Da
• Topological Polar Surface Area: 6.500 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 468.000
• 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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