Pyrene - sublimed grade, ≥99% , CAS No.129-00-0

CAS: 129-00-0 Cat. No.: R109055 Formula: C₁₆H₁₀ Peso molecolare: 202.25 Beilstein Registry Number: 1307225 Numero EC: 204-927-3

QUALITÀ & PUREZZA Sublimed grade, ≥99%

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

sublimed grade, ≥99%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Grado

Qualità sublimata

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

508816319

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

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CYP1A2 Tchem Cytochrome P450 1A2 (1 Activities)

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CYP1B1 Tchem Cytochrome P450 1B1 (2 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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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: 0.135 mg/L insoluble in water (25℃)
• 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