1-Isopropylpyrazole - ≥98%(GC)(T) , CAS No.18952-87-9

CAS: 18952-87-9 Cat. No.: I157629 Formula: C₆H₁₀N₂ Peso molecolare: 110.16 Numero EC: 823-314-7

GRADE & PURITY ≥98%(GC)(T)

Synonyms

I0999 | DTXSID70541637 | 1-isopropyl-1 H-pyrazole | AM80873 | 1-(propan-2-yl)-1H-pyrazole | 1-ISOPROPYLPYRAZOLE | EN300-105187 | SCHEMBL174399 | A848996 | AKOS002320215 | Z802540402 | 1-Isopropyl-1H-pyrazole | AS-19844 | STK347659 | FT-0691114 | 1H-Pyrazo

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

I0999 | DTXSID70541637 | 1-isopropyl-1 H-pyrazole | AM80873 | 1-(propan-2-yl)-1H-pyrazole | 1-ISOPROPYLPYRAZOLE | EN300-105187 | SCHEMBL174399 | A848996 | AKOS002320215 | Z802540402 | 1-Isopropyl-1H-pyrazole | AS-19844 | STK347659 | FT-0691114 | 1H-Pyrazo

Specifiche e purezza

≥98%(GC)(T)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(GC)(T)

Nomi e identificatori

Pubchem Sid

504767415

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504767415

Sorrisi canonici

CC(C)N1C=CC=N1

IUPAC Name

1-propan-2-ylpyrazole

InChIKey

ANMVTDVBEDVFRB-UHFFFAOYSA-N

INCHI

1S/C6H10N2/c1-6(2)8-5-3-4-7-8/h3-6H,1-2H3

Isomeri SMILES

CC(C)N1C=CC=N1

Peso molecolare

110.16

Reaxy-Rn

605964

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605964&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Pyrazole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyrazoles. These are compounds containing a pyrazole ring, which is a five-member aromatic ring with two nitrogen atoms (at positions 1 and 2) and three carbon atoms.
• 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

• Indice di rifrazione: 1.46
• Punto di infiammabilità (°C): 43 °C
• Punto di ebollizione (°C): 142°C
• Peso molecolare: 110.160 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 110.084 Da
• Monoisotopic Mass: 110.084 Da
• Topological Polar Surface Area: 17.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 70.900
• 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

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 18952-87-9, the molecular formula is C6H10N2, and the molecular weight is 110.16 g/mol. InChIKey ANMVTDVBEDVFRB-UHFFFAOYSA-N.