1,6,7,12-Tetrachloroperylene Tetracarboxylic Acid Dianhydride - ≥96% , CAS No.156028-26-1

CAS: 156028-26-1 Cat. No.: T191146 Molecular Weight: 530.1 EC Number: 692-562-4 PubChem CID: 12138167

GRADE & PURITY ≥96%

Synonyms

YGRXZLAMYLGXMF-UHFFFAOYSA-N | STL556139 | AKOS015965100 | FT-0647503 | 11,14,22,26-tetrachloro-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone | 1,6,7,12 - TETRACHLOROPERYLE

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

YGRXZLAMYLGXMF-UHFFFAOYSA-N | STL556139 | AKOS015965100 | FT-0647503 | 11, 14, 22, 26-tetrachloro-7, 18-dioxaheptacyclo[14.6.2.22, 5.03, 12.04, 9.013, 23.020, 24]hexacosa-1(22), 2(26), 3, 5(25), 9, 11, 13, 15, 20, 23-decaene-6, 8, 17, 19-tetrone | 1, 6, 7, 12 - TETRACHLOROPERYLE

Specifications & Purity

≥96%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504766928
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766928
• Canonical Smiles: C1=C2C3=C4C(=C1Cl)C5=C(C=C6C7=C5C(=C(C=C7C(=O)OC6=O)Cl)C4=C(C=C3C(=O)OC2=O)Cl)Cl
• IUPAC Name: 11,14,22,26-tetrachloro-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
• InChIKey: YGRXZLAMYLGXMF-UHFFFAOYSA-N
• INCHI: 1S/C24H4Cl4O6/c25-9-1-5-13-6(22(30)33-21(5)29)2-11(27)17-18-12(28)4-8-14-7(23(31)34-24(8)32)3-10(26)16(20(14)18)15(9)19(13)17/h1-4H
• Isomeric SMILES: C1=C2C3=C4C(=C1Cl)C5=C(C=C6C7=C5C(=C(C=C7C(=O)OC6=O)Cl)C4=C(C=C3C(=O)OC2=O)Cl)Cl
• PubChem CID: 12138167
• Molecular Weight: 530.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Naphthopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Naphthopyrans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthopyrans
• Alternative Parents: Phenanthrenes and derivatives Anthracenes Isocoumarins and derivatives Chloronaphthalenes 2-benzopyrans Pyranones and derivatives Aryl chlorides Heteroaromatic compounds Lactones Oxacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Anthracene - Naphthopyran - Phenanthrene - Chloronaphthalene - Isocoumarin - Benzopyran - 2-benzopyran - Pyranone - Pyran - Aryl halide - Aryl chloride - Benzenoid - Heteroaromatic compound - Lactone - Oxacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthopyrans. These are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two 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

• Sensitivity: Moisture&Lignt sensitive
• Molecular Weight: 530.100 g/mol
• XLogP3: 7.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 529.873 Da
• Monoisotopic Mass: 527.876 Da
• Topological Polar Surface Area: 86.700 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 854.000
• 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. Yunning Chen, Zhengkai Wu, Renquan Guan, Xueying Cheng, Qingkun Shang, Yingnan Sun.  (2023)  Regulation of the band structure and water solubility of perylene imide derivatives based on bay-substitution to accelerate the transport of photogenerated carriers with TiO2.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.144293]

2. Bowen Tao, Mi Ouyang, Qiqi Hua, Chenwen Kong, Jinlu Zhang, Weijun Li, Ru Bai, Junlei Liu, Xiaojing Lv, Cheng Zhang.  (2023)  High Electrochromic Performance of Perylene Bisimide/ZnO Hybrid Films: An Efficient, Energy-Saving, and Green Route.  ACS Applied Materials & Interfaces,      [PMID:36854655] [10.1021/acsami.2c22029]

3. Rui Qiao, Haoran Xu, Shaonan Chen, Sheng Chen, Hang Luo, Dou Zhang.  (2021)  n-Type Semiconductive Polymer and Poly(vinylidene fluoride-trifluoroethylene-chlorotrifluoroethylene) Blends for Energy Storage Applications.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.0c01192]

4. Bo Zhang, Kang Li, Renfu Li, Shoufeng Wang, Longtian Kang.  (2024)  Insight into bay-/end-substituted perylene diimide and its S-scheme heterojunction for enhanced photocatalytic H2O2 production under visible-light irradiation.  JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY,      [PMID:] [10.1016/j.jmst.2024.04.028]

5. Bo Zhang, Shoufeng Wang, Shihao Min, Kang Li, Longtian Kang, Wenlie Lin.  (2024)  Synthesis of bay-substituted perylene diimide as bifunctional photocatalyst for enhanced water oxidation and hydrogen peroxide generation.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2024.114116]

6. Sheng Lv, Hongyu Lin, Ying Lin, Qingyan Peng, Yuyang Song, Xiaodong Tan, Xiao Yang, Shixiong Yi.  (2025)  Development and Application of Visible-Light-Responsive Perylene Diimide Functionalized Silk Fibroin/Polylactic Acid Antibacterial Nanofibrous Membranes.  INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES,  26  (23): (11533).  [PMID:41373688] [10.3390/ijms262311533]