2,4-Dichloro-5-nitropyrimidine - ≥97% , CAS No.49845-33-2

CAS: 49845-33-2 Cat. No.: D119145 Formule: C₄HCl₂N₃O₂ Poids moléculaire: 193.98 Beilstein Registry Number: 23(5)5,350 Numéro CE: 629-447-5

QUALITÉ & PURETÉ ≥97%

Synonyms

D3721 | Pyrimidine, 2,4-dichloro-5-nitro- | 2,4-Dichloro-5-nitropyrimidine, tech grade | FT-0630005 | 2,4-Dichloro-5-nitropyrimidine, 97% | PS-4964 | A7414 | AB03558 | 2,4-Dichloro-5-nitropyrimidine (DCM added for stab.) | 2.4-dichloro-5-nitro-pyrimidine

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Vue d’ensemble

Intermediate in a solid-phase synthesis of diaminopurines.

Spécifications

Synonymes

D3721 | Pyrimidine, 2,4-dichloro-5-nitro- | 2,4-Dichloro-5-nitropyrimidine, tech grade | FT-0630005 | 2,4-Dichloro-5-nitropyrimidine, 97% | PS-4964 | A7414 | AB03558 | 2,4-Dichloro-5-nitropyrimidine (DCM added for stab.) | 2.4-dichloro-5-nitro-pyrimidine

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Pubchem Sid

508807697

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508807697

Sourires canoniques

C1=C(C(=NC(=N1)Cl)Cl)[N+](=O)[O-]

IUPAC Name

2,4-dichloro-5-nitropyrimidine

InChIKey

INUSQTPGSHFGHM-UHFFFAOYSA-N

INCHI

1S/C4HCl2N3O2/c5-3-2(9(10)11)1-7-4(6)8-3/h1H

Isomères SMILES

C1=C(C(=NC(=N1)Cl)Cl)[N+](=O)[O-]

WGK Allemagne

3

Poids moléculaire

193.98

Beilstein

23(5)5,350

Reaxy-Rn

9522

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9522&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Classe Allyl-type 1,3-dipolar organic compounds
      • Subclass Organic nitro compounds
        • Level5 C-nitro compounds
          • Level6 Nitroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Classe: Allyl-type 1,3-dipolar organic compounds
• Subclass: Organic nitro compounds
• Intermediate Tree Nodes: C-nitro compounds
• Direct Parent: Nitroaromatic compounds
• Alternative Parents: 2-halopyrimidines Aryl chlorides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Halopyrimidine - 2-halopyrimidine - Aryl chloride - Aryl halide - Pyrimidine - Heteroaromatic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
• 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

Propriétés chimiques et physiques

• Sensibilité: heat & Moisture sensitive
• Point d'éclair (°F): >230 °F
• Point d'éclair (°C): >110℃
• Point d'ébullition (°C): 139°C/14mmHg
• Point de fusion (°C): 28-32°C
• Poids moléculaire: 193.970 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 192.945 Da
• Monoisotopic Mass: 192.945 Da
• Topological Polar Surface Area: 71.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 162.000
• 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