4-Phenylurazole - ≥98% , CAS No.15988-11-1

CAS: 15988-11-1 Cat. No.: P124068 Formula: C₈H₇N₃O₂ Peso molecolare: 177.16 Beilstein Registry Number: 163361 Numero EC: 240-127-0

GRADE & PURITY ≥98%

Synonyms

A810083 | AC-30701 | 7W-0875 | DTXSID5065988 | EINECS 240-127-0 | NSC 93432 | Ethyl N-benzyl-3-oxopiperidine-4-carboxylate hydrochloride | 9V4N9J1BIH | DS-2482 | 4-phenyl-1,2,4-triazolane-3,5-dione | 2-Propanol, 3-amino-1,1,1-trifluoro- | SCHEMBL447261 |

Storage

Room temperature

Shipped In

Normal

Panoramica

Precursor to the Diels-Alder trapping agent, 4-phenyl-1,2,4-triazoline-3,5-dione.

Specifications

Sinonimi

A810083 | AC-30701 | 7W-0875 | DTXSID5065988 | EINECS 240-127-0 | NSC 93432 | Ethyl N-benzyl-3-oxopiperidine-4-carboxylate hydrochloride | 9V4N9J1BIH | DS-2482 | 4-phenyl-1,2,4-triazolane-3,5-dione | 2-Propanol, 3-amino-1,1,1-trifluoro- | SCHEMBL447261 |

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504755799

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755799

Sorrisi canonici

C1=CC=C(C=C1)N2C(=O)NNC2=O

IUPAC Name

4-phenyl-1,2,4-triazolidine-3,5-dione

InChIKey

GOSUFRDROXZXLN-UHFFFAOYSA-N

INCHI

1S/C8H7N3O2/c12-7-9-10-8(13)11(7)6-4-2-1-3-5-6/h1-5H,(H,9,12)(H,10,13)

Isomeri SMILES

C1=CC=C(C=C1)N2C(=O)NNC2=O

WGK Germania

3

Peso molecolare

177.16

Beilstein

163361

Reaxy-Rn

163361

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=163361&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Triazoles
        • Level5 Phenyltriazoles
          • Level6 Phenyl-1,2,4-triazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Triazoles
• Intermediate Tree Nodes: Phenyltriazoles
• Direct Parent: Phenyl-1,2,4-triazoles
• Alternative Parents: Urazoles Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyl-1,2,4-triazole - Urazole - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl 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

Obiettivi associati (umani)

GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)

Discover Target: GAA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GSK3A Tclin Glycogen synthase kinase-3 (736 Activities)

Discover Target: GSK3A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 206-210°C
• Peso molecolare: 177.160 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 177.054 Da
• Monoisotopic Mass: 177.054 Da
• Topological Polar Surface Area: 61.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 220.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). 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 15988-11-1, the molecular formula is C8H7N3O2, and the molecular weight is 177.16 g/mol. InChIKey GOSUFRDROXZXLN-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.