p-Toluquinone (MBQ) - ≥98% , CAS No.553-97-9

CAS: 553-97-9 Cat. No.: I135188 Peso molecular: 122.12 Beilstein Registry Number: 7(4)2088 Número EC: 209-056-2
Disponible para pedir
GRADE & PURITY ≥98%
Synonyms
p-Benzoquinone, 2-methyl- | 2-Methyl-[1,4]benzoquinone | 2-methylcyclohexa-2,5-diene-1,4-dione | HSDB 5495 | NSC405002 | NSC-405002 | 2-Methylbenzoquinone-1,4 | 1,4-Benzoquinone, 2-methyl- | 2,5-Cyclohexadiene-1,4-dione, 2-methyl- | 2-METHYL-1,4-BENZOQUIN
Storage
Protected from light,Room temperature,Argon charged
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5g
I135188-5g
9
9,90US$
10g
I135188-10g
2
10,90US$
25g
I135188-25g
2
12,90US$
100g
I135188-100g
2
44,90US$
500g
I135188-500g
1
199,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Protected from light,Room temperature,Argon charged Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

Cited in 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

Methyl-p-benzoquinone imine is the products were the tetrahedral adducts. Synthesis of 2H-indazole-4,7-dione derivatives from3-phenylsydnone and p-toluquinone. A Michael addition of 2-methylcyclopentane-1,3-dione to various p-toluquinone imides exclusively afforded the sole products in a regiospecific manner.

Specifications

Sinónimos
p-Benzoquinone, 2-methyl- | 2-Methyl-[1, 4]benzoquinone | 2-methylcyclohexa-2, 5-diene-1, 4-dione | HSDB 5495 | NSC405002 | NSC-405002 | 2-Methylbenzoquinone-1, 4 | 1, 4-Benzoquinone, 2-methyl- | 2, 5-Cyclohexadiene-1, 4-dione, 2-methyl- | 2-METHYL-1, 4-BENZOQUIN
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Protected from light, Room temperature, Argon charged
Enviado en
Normal
Pureza
≥98%
Nombres e identificadores
Pubchem Sid488181264
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488181264
Sonrisas canónicasCC1=CC(=O)C=CC1=O
IUPAC Name2-methylcyclohexa-2,5-diene-1,4-dione
InChIKeyVTWDKFNVVLAELH-UHFFFAOYSA-N
INCHI1S/C7H6O2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
Isómeros SMILES CC1=CC(=O)C=CC1=O
RTECS DK6300000
Peso molecular 122.12
Beilstein 7(4)2088
Reaxy-Rn 471387
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=471387&ln=

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

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClaseOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones - Cyclic ketones - Quinones - Benzoquinones
Direct ParentP-benzoquinones
Alternative Parents Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic homomonocyclic compounds
Substituents P-benzoquinone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
DescripciónThis 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 a small molecule
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
DHODH Tclin Dihydroorotate dehydrogenase (2737 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
K562 (73714 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OVCAR-8 (47708 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A2780 (11979 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Artemia salina (1320 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Micrococcus luteus (7463 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Bacillus subtilis (32866 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
botA Botulinum neurotoxin type A (1303 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Coptotermes formosanus (677 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Gambusia affinis (76 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
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.

28 results found

Lot NumberCertificate TypeFechaArticulo
L2011169Certificate of AnalysisApr 15, 2026 I135188
F2421577Certificate of AnalysisApr 02, 2026 I135188
D2616479Certificate of AnalysisMar 21, 2026 I135188
D2616480Certificate of AnalysisMar 21, 2026 I135188
D2616481Certificate of AnalysisMar 21, 2026 I135188
D2616484Certificate of AnalysisMar 21, 2026 I135188
F2017055Certificate of AnalysisOct 14, 2025 I135188
G2521288Certificate of AnalysisJun 23, 2025 I135188
G2521284Certificate of AnalysisJun 23, 2025 I135188
G2521283Certificate of AnalysisJun 23, 2025 I135188
G2521282Certificate of AnalysisJun 23, 2025 I135188
A2507354Certificate of AnalysisDec 30, 2024 I135188
F2222059Certificate of AnalysisApr 03, 2024 I135188
D2412319Certificate of AnalysisMar 15, 2024 I135188
F2405458Certificate of AnalysisMar 06, 2024 I135188
F2421578Certificate of AnalysisMar 06, 2024 I135188
F2406014Certificate of AnalysisMar 06, 2024 I135188
F2406013Certificate of AnalysisMar 06, 2024 I135188
F2405647Certificate of AnalysisMar 06, 2024 I135188
F2405459Certificate of AnalysisMar 06, 2024 I135188
C2627111Certificate of AnalysisMar 06, 2024 I135188
J2115627Certificate of AnalysisJul 10, 2023 I135188
J2115629Certificate of AnalysisJul 10, 2023 I135188
J2115626Certificate of AnalysisJul 10, 2023 I135188
B2302391Certificate of AnalysisFeb 09, 2023 I135188
L2011170Certificate of AnalysisOct 15, 2022 I135188
D2324118Certificate of AnalysisJul 08, 2021 I135188
D2315413Certificate of AnalysisJul 08, 2021 I135188

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Propiedades químicas y físicas
SolubilidadInsoluble in water.
SensibilidadLight & air sensitive.
Punto de fusión (°C)66-70°C
Peso molecular122.120 g/mol
XLogP30.700
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass122.037 Da
Monoisotopic Mass122.037 Da
Topological Polar Surface Area34.100 Ų
Heavy Atom Count9
Formal Charge0
Complexity221.000
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
Referencias
1. Yutong You, Xu Wang, Kaiqi Ma, Jiaru Li, Ying Peng, Jiang Zheng.  (2021)  Metabolic Activation of Atomoxetine Mediated by Cytochrome P450 2D6.  CHEMICAL RESEARCH IN TOXICOLOGY,      [PMID:34431675] [10.1021/acs.chemrestox.1c00216]
2. Yang Yi, Zhang Huiping, Huang Haoxin, Yan Ying, Zhang Xinya.  (2019)  Iron-loaded carbon nanotube-microfibrous composite for catalytic wet peroxide oxidation of m-cresol in a fixed bed reactor.  ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH,  27  (6): (6338-6351).  [PMID:31873882] [10.1007/s11356-019-07362-6]
3. Yi Yang, Huiping Zhang, Ying Yan.  (2018)  Catalytic wet peroxide oxidation of m-cresol over novel Fe2O3 loaded microfibrous entrapped CNT composite catalyst in a fixed-bed reactor.  JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY,  93  (9): (2552-2563).  [PMID:] [10.1002/jctb.5609]
4. Xiao Tu, Jiaxin Hu, Jinghao Peng, Qihan Chen, Yangle Zhao, Zemao Gu.  (2025)  Discovery of thymoquinone analogues with high anthelmintic activity against monogenean infections in goldfish (Carassius auratus).  VETERINARY PARASITOLOGY,      [PMID:39837239] [10.1016/j.vetpar.2025.110401]
5. Chenya Li, Jianzhi Wang, Hongyan Zhang, Yanping Liu, Faquan Yu.  (2026)  Selective Oxygen Oxidation of o-Cresol to 2-Methyl-1,4-Benzoquinone in a Microreactor with Co-Salophen as Catalyst.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.5c04989]
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