4-Chloropyrazole - ≥98%(HPLC) , CAS No.15878-00-9

CAS: 15878-00-9 Cat. No.: C153799 Formule: C₃H₃ClN₂ Poids moléculaire: 102.52 Numéro CE: 800-621-4

QUALITÉ & PURETÉ ≥98%(HPLC)

Synonyms

C2888 | 4-Chloro-1H-pyrazole, AldrichCPR | FT-0630034 | 4-chloro pyrazole | AKOS000304502 | AK-968/37166380 | DTXSID90166523 | SCHEMBL44337 | 5-23-04-00164 (Beilstein Handbook Reference) | L-21842 | 1H-Pyrazole, 4-chloro- | 4 -chloropyrazole | 4-Chloro-1H

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

C2888 | 4-Chloro-1H-pyrazole, AldrichCPR | FT-0630034 | 4-chloro pyrazole | AKOS000304502 | AK-968/37166380 | DTXSID90166523 | SCHEMBL44337 | 5-23-04-00164 (Beilstein Handbook Reference) | L-21842 | 1H-Pyrazole, 4-chloro- | 4 -chloropyrazole | 4-Chloro-1H

Spécifications et pureté

≥98%(HPLC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(HPLC)

Noms et identifiants

Pubchem Sid

488183052

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183052

Sourires canoniques

C1=C(C=NN1)Cl

IUPAC Name

4-chloro-1H-pyrazole

InChIKey

BADSZRMNXWLUKO-UHFFFAOYSA-N

INCHI

1S/C3H3ClN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)

Isomères SMILES

C1=C(C=NN1)Cl

RTECS

UQ6445000

Poids moléculaire

102.52

Reaxy-Rn

106355

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=106355&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Aryl halides
      • Subclass Aryl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Aryl halides
• Subclass: Aryl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl chlorides
• Alternative Parents: Pyrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl chloride - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl chlorides. These are organic compounds containing the acyl chloride functional 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

• Point d'ébullition (°C): 220°C
• Point de fusion (°C): 77 °C
• Poids moléculaire: 102.520 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 101.998 Da
• Monoisotopic Mass: 101.998 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 48.100
• 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