1-Methylpyrazole-5-methanol - ≥98% , CAS No.84547-61-5

CAS: 84547-61-5 Cat. No.: M158334 Formula: C₅H₈N₂O Peso molecolare: 112.13 Numero EC: 811-827-9

GRADE & PURITY ≥98%

Synonyms

EN300-100599 | AKOS000313676 | 1-Methylpyrazole-5-methanol | Z501748978 | (2-methylpyrazol-3-yl)methanol | SCHEMBL860265 | STK351051 | 5-(Hydroxymethyl)-1-methylpyrazole | 3,5-bis(trifluoro-methyl)cinnamicethylester | DTXSID00473356 | WQFOGLYQVFBDEY-UHFFF

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinonimi

EN300-100599 | AKOS000313676 | 1-Methylpyrazole-5-methanol | Z501748978 | (2-methylpyrazol-3-yl)methanol | SCHEMBL860265 | STK351051 | 5-(Hydroxymethyl)-1-methylpyrazole | 3,5-bis(trifluoro-methyl)cinnamicethylester | DTXSID00473356 | WQFOGLYQVFBDEY-UHFFF

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

CN1C(=CC=N1)CO

IUPAC Name

(2-methylpyrazol-3-yl)methanol

InChIKey

WQFOGLYQVFBDEY-UHFFFAOYSA-N

INCHI

1S/C5H8N2O/c1-7-5(4-8)2-3-6-7/h2-3,8H,4H2,1H3

Isomeri SMILES

CN1C(=CC=N1)CO

Peso molecolare

112.13

Reaxy-Rn

6383908

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6383908&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 Primary alcohols Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Pyrazole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - 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

• Sensibilità: light sensitive
• Punto di fusione (°C): 58 °C
• Peso molecolare: 112.130 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 112.064 Da
• Monoisotopic Mass: 112.064 Da
• Topological Polar Surface Area: 38.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 76.800
• 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