9,10-Dichloroanthracene - ≥96% , CAS No.605-48-1

CAS: 605-48-1 Cat. No.: D121487 Molecular Weight: 247.12 Beilstein Registry Number: 1912108 EC Number: 210-087-9

GRADE & PURITY ≥96%

Synonyms

D0327 | DTXSID2060541 | InChI=1/C14H8Cl2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8 | Anthracene,10-dichloro- | SCHEMBL147819 | NSC 42963 | AS-47969 | EINECS 210-087-9 | 9,10-DICHLOROANTHRACENE | 9,10-dichloro-anthracene | NSC42963 | NSC-42963 |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

D0327 | DTXSID2060541 | InChI=1/C14H8Cl2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8 | Anthracene, 10-dichloro- | SCHEMBL147819 | NSC 42963 | AS-47969 | EINECS 210-087-9 | 9, 10-DICHLOROANTHRACENE | 9, 10-dichloro-anthracene | NSC42963 | NSC-42963 |

Specifications & Purity

≥96%

Storage

Room temperature

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 488181436
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181436
• Canonical Smiles: C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2Cl)Cl
• IUPAC Name: 9,10-dichloroanthracene
• InChIKey: FKDIWXZNKAZCBY-UHFFFAOYSA-N
• INCHI: 1S/C14H8Cl2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
• Isomeric SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2Cl)Cl
• Molecular Weight: 247.12
• Beilstein: 1912108
• Reaxy-Rn: 1912108
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1912108&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: Chloronaphthalenes Aryl chlorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthracene - Chloronaphthalene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - 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

Chemical and Physical Properties

• Melt Point(°C): 210-215°C
• Molecular Weight: 247.100 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 246 Da
• Monoisotopic Mass: 246 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 203.000
• 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. Yun Luo, Ningbo Geng, Shuai Sun, Lin Cheng, Shuangshuang Chen, Haijun Zhang, Jiping Chen.  (2023)  Integration approach of transcriptomics and metabolomics reveals the toxicity of Anthracene and its chlorinated derivatives on human hepatic cells.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:37678537] [10.1016/j.scitotenv.2023.166886]

2. Bolin Mou, Shimin Wu.  (2025)  Investigation on the interaction mechanism of phospholipids with polycyclic aromatic hydrocarbons and their derivatives during oil degumming process.  FOOD CHEMISTRY,      [PMID:40997413] [10.1016/j.foodchem.2025.146495]