3-Perylenecarboxaldehyde - ≥95% , CAS No.35438-63-2

CAS: 35438-63-2 Cat. No.: P160766 분자식: C₂₁H₁₂O 분자량: 280.33 EC 번호: 806-977-7 PubChem CID: 3698916

GRADE & PURITY ≥95%

Synonyms

Perylene-3-carbaldehyde | 3-Formylperylene

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

동의어

Perylene-3-carbaldehyde | 3-Formylperylene

사양 및 순도

≥95%

보관 조건

Argon charged,Room temperature

배송

Normal

순수함

≥95%

이름과 식별자

• Pubchem Sid: 504762671
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762671
• 정식 스마일: C1=CC2=C3C(=C1)C4=C5C(=C(C=C4)C=O)C=CC=C5C3=CC=C2
• IUPAC Name: perylene-3-carbaldehyde
• InChIKey: IQZOCQOQNWTNOW-UHFFFAOYSA-N
• INCHI: 1S/C21H12O/c22-12-14-10-11-19-17-8-2-5-13-4-1-7-16(20(13)17)18-9-3-6-15(14)21(18)19/h1-12H
• 이성체 SMILES: C1=CC2=C3C(=C1)C4=C5C(=C(C=C4)C=O)C=CC=C5C3=CC=C2
• PubChem CID: 3698916
• 분자량: 280.33
• Reaxy-Rn: 2280814

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenanthrenes and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenanthrenes and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthrenes and derivatives
• Alternative Parents: Anthracenes Aryl-aldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Phenanthrene - Anthracene - Aryl-aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
• 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

화학 및 물리적 특성

• 감도: Light Sensitive,Air Sensitive
• 녹는점(°C): 234.0-238.0℃
• 분자량: 280.300 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 280.089 Da
• Monoisotopic Mass: 280.089 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 443.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 35438-63-2, the molecular formula is C21H12O, and the molecular weight is 280.33 g/mol. InChIKey IQZOCQOQNWTNOW-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.