Pyrene - ≥95%(GC) , CAS No.129-00-0

CAS: 129-00-0 Cat. No.: P119406 Formula: C₁₆H₁₀ Peso molecolare: 202.25 Beilstein Registry Number: 1307225 Numero EC: 204-927-3

QUALITÀ & PUREZZA ≥95%(GC)

Synonyms

Benzo (d,e,f) phenanthrene|Coal tar pitch volatiles:pyrene|Pyrene; Benzo[def]phenanthrene; NSC 17534; NSC 66449|Pyrene (purified by sublimation)|PYRENE [HSDB]|{Benzo[def]phenanthrene}|PYRENE|Benzo[def]phenanthrene|benzo(d,e,f)phenanthrene|Benzo(def)phenanthrene|beta-Pyrene|Pyrene sublimed grade|Pyrene (ACD/Name 4.0)|beta-Pyrine|Pireno|.beta.-Pyrene|Pyren|PYRENE [MI]|Pyren [German]|PYRENE [IARC]|Pyrene[def]phenanthrene|Pyrene-13C6|PYRENE (IARC)|Coal tar pitch volatiles: pyrene|Pyrene, Powder

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

Benzo (d,e,f) phenanthrene | Coal tar pitch volatiles:pyrene | Pyrene; Benzo[def]phenanthrene; NSC 17534; NSC 66449 | Pyrene (purified by sublimation) | PYRENE [HSDB] | {Benzo[def]phenanthrene} | PYRENE | Benzo[def]phenanthrene | benzo(d,e,f)phenanthrene | Benzo(def)phenanthrene | beta-Pyrene | Pyrene sublimed grade | Pyrene (ACD/Name 4.0 Mostra altro

Specifiche e purezza

≥95%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%(GC)

Nomi e identificatori

Pubchem Sid

488183175

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183175

Sorrisi canonici

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

IUPAC Name

pyrene

InChIKey

BBEAQIROQSPTKN-UHFFFAOYSA-N

INCHI

1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H

Isomeri SMILES

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

WGK Germania

2

RTECS

UR2450000

Peso molecolare

202.25

Beilstein

1307225

Reaxy-Rn

1307225

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1307225&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: Phenanthrenes and derivatives Naphthalenes Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Pyrene - Phenanthrene - Naphthalene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - 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: ortho- and peri-fused polycyclic arene

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)

CYP1A2 Tchem Cytochrome P450 1A2 (1 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CYP1B1 Tchem Cytochrome P450 1B1 (2 Activities)

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CYP1A1 Tchem Cytochrome P450 1A1 (2 Activities)

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PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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CYP1B1 Tchem Cytochrome P450 1B1 (1148 Activities)

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CYP1A1 Tchem Cytochrome P450 1A1 (1169 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

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GALNT2 Tchem Polypeptide N-acetylgalactosaminyltransferase 2 (34 Activities)

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Obiettivi associati (non umani)

Galc Galactocerebrosidase (11 Activities)

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Polycyclic aromatic hydrocarbon binding protein (16 Activities)

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lef Anthrax lethal factor (7585 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di infiammabilità (°C): 224℃
• Punto di ebollizione (°C): 404℃
• Punto di fusione (°C): 150°C
• Peso molecolare: 202.250 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 202.078 Da
• Monoisotopic Mass: 202.078 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 217.000
• 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