Dibenz[a,c]anthracene - ≥97% , CAS No.215-58-7

CAS: 215-58-7 Cat. No.: D470623 분자식: C₂₂H₁₄ 분자량: 278.35 Beilstein Registry Number: 1912415 EC 번호: 205-920-8

GRADE & PURITY ≥97%

Synonyms

DTXSID9049245 | Dibenz[a,c]anthracene, BCR(R) certified Reference Material | Dibenzo[a,c]anthracene | MFCD00003603 | AS-81509 | CCRIS 934 | AKOS015905974 | UNII-6OC62KCV5A | Dibenz[a,c]anthracene | Dibenzo[a,c]anthracene-13C6 | DTXCID8029101 | NEBIVOLOLHC

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

DTXSID9049245 | Dibenz[a,c]anthracene, BCR(R) certified Reference Material | Dibenzo[a,c]anthracene | MFCD00003603 | AS-81509 | CCRIS 934 | AKOS015905974 | UNII-6OC62KCV5A | Dibenz[a,c]anthracene | Dibenzo[a,c]anthracene-13C6 | DTXCID8029101 | NEBIVOLOLHC

사양 및 순도

≥97%

보관 조건

Room temperature

배송

Normal

순수함

≥97%

이름과 식별자

• Pubchem Sid: 528769747
• 정식 스마일: C1=CC=C2C=C3C4=CC=CC=C4C5=CC=CC=C5C3=CC2=C1
• IUPAC Name: benzo[b]triphenylene
• InChIKey: RAASUWZPTOJQAY-UHFFFAOYSA-N
• INCHI: 1S/C22H14/c1-2-8-16-14-22-20-12-6-4-10-18(20)17-9-3-5-11-19(17)21(22)13-15(16)7-1/h1-14H
• 이성체 SMILES: C1=CC=C2C=C3C4=CC=CC=C4C5=CC=CC=C5C3=CC2=C1
• WGK 독일: 3
• RTECS: DM1925000
• 분자량: 278.35
• Beilstein: 1912415
• Reaxy-Rn: 1912415
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1912415&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenanthrenes and derivatives
• Subclass: Triphenylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenylenes
• Alternative Parents: Anthracenes Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Triphenylene - Anthracene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as triphenylenes. These are compounds containing a triphenylene moiety, which consists of four fused benzene rings forming a 9,10-benzo[l]phenanthrene.
• External Descriptors: carbopolycyclic compound

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

작용 메커니즘

화학 및 물리적 특성

• 끓는점(°C): 518 °C (lit.)
• 녹는점(°C): 205-207 °C (lit.)
• 분자량: 278.300 g/mol
• XLogP3: 6.700
• 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