1,4,5,8-Tetrachloroanthraquinone - ≥95% , CAS No.81-58-3

CAS: 81-58-3 Cat. No.: T162166 Molecular Weight: 345.98 EC Number: 201-362-4 PubChem CID: 66484
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
NSC513487 | NSC-513487 | 9, 1,4,5,8-tetrachloro- | 9,10-Anthracenedione,1,4,5,8-tetrachloro- | 1,4,5,8-tetrachloroanthracene-9,10-dione | 1,4,5,8-Tetrachloroanthraquinone | 1,4,5,8-tetrachloro-anthraquinone | UNII-LJC28L6W8L | AC-11722 | LJC28L6W8L | 1,4,
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
200mg
T162166-200mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$9.90

$14.90
Save $5.00 (33.56%)
1g
T162166-1g
3

$29.90

$44.90
Save $15.00 (33.41%)
5g
T162166-5g
3

$104.90

$157.90
Save $53.00 (33.57%)
25g
T162166-25g
2

$329.90

$494.90
Save $165.00 (33.34%)
100g
T162166-100g
2

$921.90

$1,382.90
Save $461.00 (33.34%)
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
NSC513487 | NSC-513487 | 9, 1, 4, 5, 8-tetrachloro- | 9, 10-Anthracenedione, 1, 4, 5, 8-tetrachloro- | 1, 4, 5, 8-tetrachloroanthracene-9, 10-dione | 1, 4, 5, 8-Tetrachloroanthraquinone | 1, 4, 5, 8-tetrachloro-anthraquinone | UNII-LJC28L6W8L | AC-11722 | LJC28L6W8L | 1, 4,
Specifications & Purity
≥95%
Storage
Room temperature
Shipped In
Normal
Purity
≥95%
Names and Identifiers
Pubchem Sid504754074
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504754074
Canonical SmilesC1=CC(=C2C(=C1Cl)C(=O)C3=C(C=CC(=C3C2=O)Cl)Cl)Cl
IUPAC Name1,4,5,8-tetrachloroanthracene-9,10-dione
InChIKeyDUJPMUKIEFLXRE-UHFFFAOYSA-N
INCHI1S/C14H4Cl4O2/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4H
Isomeric SMILES C1=CC(=C2C(=C1Cl)C(=O)C3=C(C=CC(=C3C2=O)Cl)Cl)Cl
PubChem CID 66484
Molecular Weight 345.98
Reaxy-Rn 2295024

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot NumberCertificate TypeDateItem
A2404069Certificate of AnalysisDec 20, 2023 T162166
A2404070Certificate of AnalysisDec 20, 2023 T162166
A2404071Certificate of AnalysisDec 20, 2023 T162166
A2404095Certificate of AnalysisDec 20, 2023 T162166
A2404233Certificate of AnalysisDec 20, 2023 T162166
A2404234Certificate of AnalysisDec 20, 2023 T162166
A2404768Certificate of AnalysisDec 20, 2023 T162166
A2404770Certificate of AnalysisDec 20, 2023 T162166
Chemical and Physical Properties
Melt Point(°C)342°C(lit.)
Molecular Weight346.000 g/mol
XLogP35.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass345.894 Da
Monoisotopic Mass343.897 Da
Topological Polar Surface Area34.100 Ų
Heavy Atom Count20
Formal Charge0
Complexity365.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Qing Xu, Jianbo Guo, Chunmei Niu, Jing Lian, Zhenghao Hou, Yankai Guo, Shaoying Li.  (2014)  The denitrification characteristics of novel functional biocarriers immobilised by non-dissolved redox mediators.  BIOCHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.bej.2014.12.004]
Solution Calculators
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