Chloranil(TCBQ) - for synthesis , CAS No.118-75-2

Name: Chloranil(TCBQ) - for synthesis , CAS No.118-75-2
SKU: P431534
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CAS: 118-75-2 Cat. No.: P431534 Formule: C₆Cl₄O₂ Poids moléculaire: 245.88 Beilstein Registry Number: 393006 Numéro CE: 204-274-4 PubChem CID: 8371

66 Citations COA

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p-Chloranil - for synthesis CAS No(118-75-2) by Aladdin Scientific

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DISPONIBLE À COMMANDE

GRADE & PURITY for Synthesis ?

Synonyms

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Protected from light,Room temperature

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Specifications Noms et identifiants Documentation Advanced Data Taxonomic Classification Structure 3D Cibles associées (humaines) Cibles associées (non humaines) Mécanismes d'action Certificats (CoA, COO, BSE/TSE et tableau d'analyse) Propriétés chimiques et physiques FAQ et articles Citations of This Product Calculateurs de solution Avis

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Why this grade

for synthesis pour la synthèse for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Protected from light,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 66 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonymes

Spécifications et pureté

for synthesis

Conditions de stockage de stockage

Protected from light,Room temperature

Expédié en

Normal

Grade

pour la synthèse

Noms et identifiants

Pubchem Sid

528771438

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528771438

Sourires canoniques

C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)Cl

IUPAC Name

2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione

InChIKey

UGNWTBMOAKPKBL-UHFFFAOYSA-N

INCHI

1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11

Isomères SMILES

C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)Cl

WGK Allemagne

RTECS

DK6825000

PubChem CID

8371

Poids moléculaire

245.88

Beilstein

393006

Reaxy-Rn

393006

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Classe Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Cyclic ketones
        Level7 Quinones
        Level8 Benzoquinones
        Level9 P-benzoquinones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Classe	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Cyclic ketones - Quinones - Benzoquinones
Direct Parent	P-benzoquinones
Alternative Parents	Vinylogous halides Alpha-chloroketones Vinyl chlorides Chloroalkenes Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	P-benzoquinone - Alpha-haloketone - Alpha-chloroketone - Vinylogous halide - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as p-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 4-positions, respectively.
External Descriptors	organochlorine compound - benzoquinones
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

Structure 3D

Cibles associées (humaines)

CES1 Tchem Liver carboxylesterase 1 (1 Activities)

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CES2 Tchem Cocaine esterase (1 Activities)

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ACHE Tclin Acetylcholinesterase (1 Activities)

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BCHE Tclin Cholinesterase (1 Activities)

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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VDR Tclin Vitamin D receptor (26531 Activities)

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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RXRA Tclin Retinoid X receptor alpha (3637 Activities)

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CXCL8 Tchem Interleukin-8 (642 Activities)

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BCHE Tclin Butyrylcholinesterase (7174 Activities)

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ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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ALOX12 Tchem Arachidonate 12-lipoxygenase (3262 Activities)

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

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CES2 Tchem Carboxylesterase 2 (583 Activities)

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NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)

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CES1 Tchem Acyl coenzyme A:cholesterol acyltransferase (1029 Activities)

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ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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MRC5 (9203 Activities)

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Lymphoblastoid cell (5959 Activities)

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HIF1A Tchem Hypoxia-inducible factor 1 alpha (6027 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

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POLK Tbio DNA polymerase kappa (8653 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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RECQL Tbio ATP-dependent DNA helicase Q1 (5575 Activities)

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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

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RUNX1 Tbio Runt-related transcription factor 1/Core-binding factor subunit beta (7867 Activities)

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Cibles associées (non humaines)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

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Plasmodium falciparum (966862 Activities)

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Trichomonas vaginalis (2376 Activities)

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Trichoplusia ni (986 Activities)

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L1210 (27553 Activities)

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lef Anthrax lethal factor (7585 Activities)

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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

Rorc Nuclear receptor ROR-gamma (89407 Activities)

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fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)

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Impa1 Inositol monophosphatase 1 (16203 Activities)

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groL GroEL/GroES (1042 Activities)

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SARS-CoV-2 (38078 Activities)

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Mécanismes d'action

Certificats (CoA, COO, BSE/TSE et tableau d'analyse)

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 Number	Certificate Type	Date	Article
I2609171	Certificate of Analysis	Sep 11, 2026	P431534
L2306074	Certificate of Analysis	Sep 01, 2026	P431534
L2306075	Certificate of Analysis	Sep 01, 2026	P431534
F2623088	Certificate of Analysis	Jul 07, 2026	P431534
G2618011	Certificate of Analysis	Jul 07, 2026	P431534
F2623102	Certificate of Analysis	Jun 29, 2026	P431534
C2522073	Certificate of Analysis	Dec 14, 2023	P431534
J2511028	Certificate of Analysis	Dec 14, 2023	P431534

Propriétés chimiques et physiques

Solubilité	practically insoluble 0.25g/L
Sensibilité	light sensitive
Point de fusion (°C)	290°C
Poids moléculaire	245.900 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	245.862 Da
Monoisotopic Mass	243.865 Da
Topological Polar Surface Area	34.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	277.000
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

FAQ et articles

1,4-Benzoquinone, BQ

Categories: Technical Articles: Reagent Chemistry, Synthesis & Bioscience Guides

Tags:

Oxidizing agents 1,4-Benzoquinone

Chloranil, Tetrachloro-1,4-benzoquinone

Categories: Technical Articles: Reagent Chemistry, Synthesis & Bioscience Guides

Tags:

OxidizingAgents Chloranil

“For Synthesis” grade — a clear and practical guide

Categories: Reagent Specifications, Grading and Purity

Tags:

Grade For Synthesis grade

Electron Transfer and Nucleophilic Reactions of Benzoquinones: Effects of the Conjugated Dicarbonyl Structure, Substituents, and Medium

Categories: Technical Articles: Reagent Chemistry, Synthesis & Bioscience Guides

Tags:

Carbonyl Conjugation

Citations of This Product

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📚 Citations by Application

Other applications25

Cell viability5

Cytotoxicity screening11

Drug / compound screening17

Chromatography (HPLC / GC / TLC)6

Extraction & workup solvent18

Organic synthesis — reaction medium31

Electrochemistry & battery electrolyte19

Spectroscopy sample preparation3

Cancer cell line characterization2

Industrial & non-pharma application1

Cross-coupling reactions2

Cell proliferation1

Polymer synthesis & polymerization3

Controlled-release & nanoparticle carrier1

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Produits apparentés

Chloranil (TCBQ) - analytical standard , CAS No.118-75-2

Chloranil (TCBQ) - ≥98% , CAS No.118-75-2

Chloranil (TCBQ) - Moligand™, 10 mM in DMSO , CAS No.118-75-2

Chloranil(TCBQ) - for synthesis , CAS No.118-75-2

Storage & shipping

Quality documents

Literature proof

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

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📚 Citations by Application

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Produits apparentés