tert-Butyl (2,6-dichloropyridin-4-yl)carbamate - ≥95%

Cat. No.: T193604

GRADE & PURITY ≥95%

Synonyms

SCHEMBL1368674 | AMY14146 | FT-0745288 | Carbamic acid,(2,6-dichloro-4-pyridinyl)-,1,1-dimethylethyl ester(9ci) | Carbamic acid, (2,6-dichloro-4-pyridinyl)-, 1,1-dimethylethyl ester | SY102398 | AKOS015920190 | DS-11090 | A871643 | DTXSID00663154 | tert-b

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

SCHEMBL1368674 | AMY14146 | FT-0745288 | Carbamic acid, (2, 6-dichloro-4-pyridinyl)-, 1, 1-dimethylethyl ester(9ci) | Carbamic acid, (2, 6-dichloro-4-pyridinyl)-, 1, 1-dimethylethyl ester | SY102398 | AKOS015920190 | DS-11090 | A871643 | DTXSID00663154 | tert-b

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)NC1=CC(=NC(=C1)Cl)Cl
• IUPAC Name: tert-butyl N-(2,6-dichloropyridin-4-yl)carbamate
• InChIKey: DEEVITBIJFESEP-UHFFFAOYSA-N
• INCHI: 1S/C10H12Cl2N2O2/c1-10(2,3)16-9(15)13-6-4-7(11)14-8(12)5-6/h4-5H,1-3H3,(H,13,14,15)

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Polyhalopyridines
• Alternative Parents: 2-halopyridines Aryl chlorides Heteroaromatic compounds Carbamate esters Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - 2-halopyridine - Aryl chloride - Aryl halide - Carbamic acid ester - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen atom.
• 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

Propiedades químicas y físicas

• Peso molecular: 263.120 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 262.028 Da
• Monoisotopic Mass: 262.028 Da
• Topological Polar Surface Area: 51.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 246.000
• 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