5-Chloropyrimidine - ≥98% , CAS No.17180-94-8

CAS: 17180-94-8 Cat. No.: C191500 Fórmula: C₄H₃ClN₂ Peso molecular: 114.53 Número CE: 675-798-2

GRAU & PUREZA ≥98%

Synonyms

AM86690 | FT-0600949 | A811354 | GS-6489 | Q-102308 | SCHEMBL198750 | 5-choloropyrimidine | ZLNPDTOTEVIMMY-UHFFFAOYSA-N | AB16528 | MFCD03840717 | AC-26672 | pyrimidine, 5-chloro- | BBL103126 | DTXSID30878714 | 5-Chloropyrimidine | 5-Chloro-pyrimidine | A

Storage

Store at 2-8°C

Shipped In

Wet ice

Especificações

Sinónimos

AM86690 | FT-0600949 | A811354 | GS-6489 | Q-102308 | SCHEMBL198750 | 5-choloropyrimidine | ZLNPDTOTEVIMMY-UHFFFAOYSA-N | AB16528 | MFCD03840717 | AC-26672 | pyrimidine, 5-chloro- | BBL103126 | DTXSID30878714 | 5-Chloropyrimidine | 5-Chloro-pyrimidine | A

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

528761594

Sorrisos canónicos

C1=C(C=NC=N1)Cl

IUPAC Name

5-chloropyrimidine

InChIKey

ZLNPDTOTEVIMMY-UHFFFAOYSA-N

INCHI

1S/C4H3ClN2/c5-4-1-6-3-7-2-4/h1-3H

SMILES isoméricas

C1=C(C=NC=N1)Cl

Peso molecular

114.53

Reaxy-Rn

107191

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107191&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Halopyrimidines
• Alternative Parents: Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Halopyrimidine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring 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

Propriedades químicas e físicas

• Peso molecular: 114.530 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 113.998 Da
• Monoisotopic Mass: 113.998 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 51.700
• 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