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

등급 & 순도 ≥97%

Synonyms

Dibenzo[a,c]anthracene|Dibenz[a,c]anthracene|Dibenzo[a,c]anthracene-13C6|NEBIVOLOLHCL|Benzo(b)triphenylene|DIBENZ(A,C)ANTHRACENE [IARC]|2,3-Benztriphenylene|1,2,3,4-1,2,3,4-Dibenzanthracene|Benzotriphenylene|Benzo[b]triphenylene|Dibenzanthracene|Dibenz(a,c)anthracene|Dibenzo(a,c)anthracene|1,2,3,4-DIBENZANTHRACENE|benzo[f]tetraphene|1,2:3,4-Dibenzoanthracene|2,3-Benzotriphenylene

Storage

Room temperature

Shipped In

Normal

사양

동의어

Dibenzo[a,c]anthracene | Dibenz[a,c]anthracene | Dibenzo[a,c]anthracene-13C6 | NEBIVOLOLHCL | Benzo(b)triphenylene | DIBENZ(A,C)ANTHRACENE [IARC] | 2,3-Benztriphenylene | 1,2,3,4-1,2,3,4-Dibenzanthracene | Benzotriphenylene | Benzo[b]triphenylene | Dibenzanthracene | Dibenz(a,c)anthracene | Dibenzo(a,c)anthracene | 1,2,3,4-DIBENZANTHRACEN Show more

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