9,10-Dihydroanthracene - ≥98%(GC) , CAS No.613-31-0

CAS: 613-31-0 Cat. No.: D155012 Molecular Weight: 180.25 Beilstein Registry Number: 1364580 EC Number: 210-336-1

GRADE & PURITY ≥98%(GC)

Synonyms

AI3-09026 | 9,10-Dihydroanthracene, 97% | NSC30805 | NSC-30805 | AKOS004907975 | Z142C238GB | BDBM50060852 | D0549 | 9,10-DIHYDROANTHRACENE | 9,10-Dihydro-anthracene | FT-0621599 | MFCD00001239 | NSC 30805 | UNII-Z142C238GB | DTXSID3075256 | STK365298 | D

Storage

Room temperature

Shipped In

Normal

Overview

9,10-Dihydroanthracene causes the transfer hydrogenation of C60 and C70 in the presence of 7Hbenzanthrene catalyst. It was oxidatively aromatized to the corresponding anthracene in the presence of molecular oxygen as an oxidant and activated carbon as a promoter in xylene.

Specifications

Synonyms

AI3-09026 | 9, 10-Dihydroanthracene, 97% | NSC30805 | NSC-30805 | AKOS004907975 | Z142C238GB | BDBM50060852 | D0549 | 9, 10-DIHYDROANTHRACENE | 9, 10-Dihydro-anthracene | FT-0621599 | MFCD00001239 | NSC 30805 | UNII-Z142C238GB | DTXSID3075256 | STK365298 | D

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488181488
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181488
• Canonical Smiles: C1C2=CC=CC=C2CC3=CC=CC=C31
• IUPAC Name: 9,10-dihydroanthracene
• InChIKey: WPDAVTSOEQEGMS-UHFFFAOYSA-N
• INCHI: 1S/C14H12/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-8H,9-10H2
• Isomeric SMILES: C1C2=CC=CC=C2CC3=CC=CC=C31
• WGK Germany: 3
• Molecular Weight: 180.25
• Beilstein: 1364580
• Reaxy-Rn: 1364575
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1364575&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Anthracenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Anthracenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthracenes
• Alternative Parents: Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthracene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.
• 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

Associated Targets(Human)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Discover Target: ALOX5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Boil Point(°C): 313 °C
• Melt Point(°C): 103-107℃
• Molecular Weight: 180.240 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 180.094 Da
• Monoisotopic Mass: 180.094 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 154.000
• 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

References

1. Qifeng Yang, Yiming Mo.  (2023)  Direct Electrochemical Oxidation of Benzylic C–H Bond by La2O3@C/CP Composite Electrode with Water as the Green Oxygen Source.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.3c02229]

2. Ruotong Cui, Wenlong Xu, Yanpeng Zhang, Jingxian Wang, Yingyun Qiao, Yuanyu Tian.  (2025)  In-depth understanding of the rapid pyrolysis free radical reaction regulation mechanism of C-S bonds in coal at the molecular level.  FUEL,      [PMID:] [10.1016/j.fuel.2025.134630]

3. Ruotong Cui, Wenlong Xu, Feng Liu, Lei Yu, Jiming Liu, Xi Chen, Yingyun Qiao, Yuanyu Tian.  (2024)  Rapid pyrolysis mechanism and product distribution of coal model compounds containing typical C–O bonds.  JOURNAL OF THE ENERGY INSTITUTE,      [PMID:] [10.1016/j.joei.2024.101608]

4. Ruotong Cui, Wenlong Xu, Yanpeng Zhang, Chengbiao Wang, Wenshuo Ma, Jingxian Wang, Yingyun Qiao, Yuanyu Tian.  (2025)  Reaction regulation mechanisms of ether-bonded radicals during coal pyrolysis: Combination of quantum chemical-based calculations and radical trapping.  JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS,      [PMID:] [10.1016/j.jaap.2025.107273]

5. Pengfei Sun, Panxing Bai, Zifeng Chen, Hai Su, Jixing Yang, Kang Xu, Yunhua Xu.  (2019)  A Lithium-Organic Primary Battery.  Small,  16  (3): (1906462).  [PMID:31867886] [10.1002/smll.201906462]