4-Chloropyrimidine Hydrochloride - ≥95% , CAS No.179051-78-6

CAS: 179051-78-6 Cat. No.: C191619 분자식: C₄H₄Cl₂N₂ 분자량: 150.99 EC 번호: 814-000-0 PubChem CID: 21922556

GRADE & PURITY ≥95%

Synonyms

Pyrimidine, 4-chloro-, hydrochloride (1:1) | 4-CHLOROPYRIMIDINE HCL | MFCD11870807 | HBZJVDNETONGIS-UHFFFAOYSA-N | SCHEMBL79652 | AC-28922 | Pyrimidine, 4-chloro-, monohydrochloride | 4-Chloropyrimidi HCl | 4-Chloropyrimidine--hydrogen chloride (1/1) | PB

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

동의어

Pyrimidine, 4-chloro-, hydrochloride (1:1) | 4-CHLOROPYRIMIDINE HCL | MFCD11870807 | HBZJVDNETONGIS-UHFFFAOYSA-N | SCHEMBL79652 | AC-28922 | Pyrimidine, 4-chloro-, monohydrochloride | 4-Chloropyrimidi HCl | 4-Chloropyrimidine--hydrogen chloride (1/1) | PB

사양 및 순도

≥95%

보관 조건

Protected from light,Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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순수함

≥95%

이름과 식별자

• 정식 스마일: C1=CN=CN=C1Cl.Cl
• IUPAC Name: 4-chloropyrimidine;hydrochloride
• InChIKey: HBZJVDNETONGIS-UHFFFAOYSA-N
• INCHI: 1S/C4H3ClN2.ClH/c5-4-1-2-6-3-7-4;/h1-3H;1H
• 이성체 SMILES: C1=CN=CN=C1Cl.Cl
• PubChem CID: 21922556
• 분자량: 150.99

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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 Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Halopyrimidine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• 설명: 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

화학 및 물리적 특성

• 감도: Moisture and air sensitive
• 분자량: 150.990 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 149.975 Da
• Monoisotopic Mass: 149.975 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 57.700
• 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: 2

XLogP3