1-Chloro-7-fluorophthalazine - ≥95% , CAS No.23928-56-5

CAS: 23928-56-5 Cat. No.: C192236 Formula: C₈H₄ClFN₂ Peso molecolare: 182.58

GRADE & PURITY ≥95%

Synonyms

1-chloro-7-fluorophthalazine | 1-CHLORO-7-FLUORO-PHTHALAZINE | YAA92856 | SB36009 | A878089 | DS-9065 | Phthalazine, 1-chloro-7-fluoro- | DTXSID801304029 | AKOS024262179 | C74232

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

1-chloro-7-fluorophthalazine | 1-CHLORO-7-FLUORO-PHTHALAZINE | YAA92856 | SB36009 | A878089 | DS-9065 | Phthalazine, 1-chloro-7-fluoro- | DTXSID801304029 | AKOS024262179 | C74232

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

C1=CC2=CN=NC(=C2C=C1F)Cl

IUPAC Name

1-chloro-7-fluorophthalazine

InChIKey

DIPMGKNFAKSMBA-UHFFFAOYSA-N

INCHI

1S/C8H4ClFN2/c9-8-7-3-6(10)2-1-5(7)4-11-12-8/h1-4H

Isomeri SMILES

C1=CC2=CN=NC(=C2C=C1F)Cl

Peso molecolare

182.58

Reaxy-Rn

511838

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=511838&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phthalazines
• Alternative Parents: Pyridazines and derivatives Benzenoids Aryl fluorides Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalazine - Aryl chloride - Aryl fluoride - Aryl halide - Pyridazine - Benzenoid - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phthalazines. These are compounds containing a phthalazine moiety, which consists of a benzene ring fused to a pyridazine, forming a 2,3-benzodiazine skeleton.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 182.580 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 182.005 Da
• Monoisotopic Mass: 182.005 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 167.000
• 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