ピセン（昇華精製） - ≥99.5%以上(GC) , CAS No.213-46-7

CAS: 213-46-7 Cat. No.: P160221 分子式: C₂₂H₁₄ 分子量: 278.35 EC番号: 205-918-7 PubChem CID: 9162

GRADE & PURITY ≥99.5%

Synonyms

NSC406006 | NSC-406006 | 3,4-Benzchrysene | Benzo[a]chrysene | P1893 | Benzo(a)chrysene | P2207 | Picene (purified by sublimation), >/=99.5% | Dibenzo(a,i)phenanthrene | 1,7,8-Dibenzphenanthrene | DTXSID8073895 | C19500 | WLN: L F6 E6 B666J | 1,8-Dibenzop

Storage

2～8℃で保存

Shipped In

濡れた氷

Specifications

同義語

NSC406006 | NSC-406006 | 3,4-Benzchrysene | Benzo[a]chrysene | P1893 | Benzo(a)chrysene | P2207 | Picene (purified by sublimation), >/=99.5% | Dibenzo(a,i)phenanthrene | 1,7,8-Dibenzphenanthrene | DTXSID8073895 | C19500 | WLN: L F6 E6 B666J | 1,8-Dibenzop

仕様と純度

≥99.5%以上(GC)

保管条件

2～8℃で保存

入荷

濡れた氷

純度

≥99.5%

名前と識別子

• カノニカル・スマイル: C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C=CC5=CC=CC=C54
• IUPAC Name: picene
• InChIKey: GBROPGWFBFCKAG-UHFFFAOYSA-N
• INCHI: 1S/C22H14/c1-3-7-17-15(5-1)9-11-21-19(17)13-14-20-18-8-4-2-6-16(18)10-12-22(20)21/h1-14H
• 異性体SMILES: C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C=CC5=CC=CC=C54
• PubChem CID: 9162
• 分子量: 278.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenanthrenes and derivatives
      • Subclass Chrysenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenanthrenes and derivatives
• Subclass: Chrysenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chrysenes
• Alternative Parents: Naphthalenes Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Chrysene - Naphthalene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as chrysenes. These are compounds containing the polyaromatic chrysene moiety, which consists of a benzene ring fused to a phenanthrene ring system to form Benzo[a]phenanthrene.
• External Descriptors: ortho-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

化学的性質と物理的性質

• 感度: air sensitive;light sensitive;heat sensitive
• 沸点（°C）: 525°C(lit.)
• 融点（°C）: 366°C(lit.)
• 分子量: 278.300 g/mol
• XLogP3: 7.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 278.11 Da
• Monoisotopic Mass: 278.11 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 361.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥99.5% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 213-46-7, the molecular formula is C22H14, and the molecular weight is 278.35 g/mol. InChIKey GBROPGWFBFCKAG-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.