1-Hydroxypyrene - ≥98% , CAS No.5315-79-7

CAS: 5315-79-7 Cat. No.: H119988 Formula: C₁₆H₁₀O Peso molecolare: 218.25 Numero EC: 624-224-9

GRADE & PURITY ≥98%

Synonyms

Pyren-1-ol;1-Hydroxypyrene1-Pyrenol | A24650 | MFCD00044543 | NCGC00248108-01 | H1435 | 1-Hydroxypyrene, certified reference material, TraceCERT(R) | SCHEMBL218996 | BIDD:GT0133 | FT-0607935 | SY045995 | 1-HYDROXYPYRENE | hydroxypyrene | NCGC00254432-01 |

Storage

Room temperature

Shipped In

Normal

Panoramica

1-Hydroxypyrene, as a urinary metabolite, is a marker of polycyclic aromatic hydrocarbons (PAH) exposure.1-Hydroxypyrene is an important biomarker of exposure to pyrene.

Specifications

Sinonimi

Pyren-1-ol;1-Hydroxypyrene1-Pyrenol | A24650 | MFCD00044543 | NCGC00248108-01 | H1435 | 1-Hydroxypyrene, certified reference material, TraceCERT(R) | SCHEMBL218996 | BIDD:GT0133 | FT-0607935 | SY045995 | 1-HYDROXYPYRENE | hydroxypyrene | NCGC00254432-01 |

Specifiche e purezza

≥98%

Applicazione

1-Hydroxypyrene is suitable for use in following studies: To investigate the fast detection and quantification of 1-hydroxypyrene in tissue extracts from Nereis diversicolor exposed to sediment-associated pyrene by a simple fluorometric method. To investi

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488182684

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182684

Sorrisi canonici

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)O

IUPAC Name

pyren-1-ol

InChIKey

BIJNHUAPTJVVNQ-UHFFFAOYSA-N

INCHI

1S/C16H10O/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17H

Isomeri SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)O

WGK Germania

3

RTECS

UR2845000

Peso molecolare

218.25

Reaxy-Rn

1875750

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1875750&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Pyrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Pyrenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrenes
• Alternative Parents: Phenanthrols Naphthols and derivatives 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Pyrene - Phenanthrol - Phenanthrene - 1-naphthol - 2-naphthol - Naphthalene - 1-hydroxy-2-unsubstituted benzenoid - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
• External Descriptors: pyrenes

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

• Solubilità: Soluble in Methanol
• Punto di fusione (°C): 179-182°C
• Peso molecolare: 218.250 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 218.073 Da
• Monoisotopic Mass: 218.073 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 300.000
• 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