Tropolone - Moligand™,≥98% , CAS No.533-75-5

CAS: 533-75-5 Cat. No.: T112998 Molecular Weight: 122.12 Beilstein Registry Number: 1904978 EC Number: 208-577-2 PubChem CID: 10789

2 Citations COA

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Tropolone - Moligand™,≥98% CAS No(533-75-5) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY Moligand™ ? ≥98%

Synonyms

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Citations of This Product References Solution Calculators Reviews

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Why this grade

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

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Storage & shipping

Store at 2-8°C,Argon charged Ships Wet ice 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

Specifications & Purity

Moligand™, ≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥98%

Names and Identifiers

Canonical Smiles	C1=CC=C(C(=O)C=C1)O
IUPAC Name	2-hydroxycyclohepta-2,4,6-trien-1-one
InChIKey	MDYOLVRUBBJPFM-UHFFFAOYSA-N
INCHI	1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)
Isomeric SMILES	C1=CC=C(C(=O)C=C1)O
WGK Germany	3
RTECS	GU4075000
PubChem CID	10789
Molecular Weight	122.12
Beilstein	1904978
Reaxy-Rn	1904978

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

Kingdom Organic compounds
- Superclass Hydrocarbon derivatives
  - Class Tropones
    - Subclass Tropolones

Kingdom	Organic compounds
Superclass	Hydrocarbon derivatives
Class	Tropones
Subclass	Tropolones
Intermediate Tree Nodes	Not available
Direct Parent	Tropolones
Alternative Parents	Cyclic ketones Organic oxides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Tropolone - Cyclic ketone - Organic oxygen compound - Organic oxide - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as tropolones. These are compounds containing tropone ring with a hydroxyl group at ring position 2.
External Descriptors	cyclic ketone
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

3D Structure

Associated Targets(Human)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Discover Target: ALOX5

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

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

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

CPA1 Tchem Carboxypeptidase A1 (146 Activities)

Discover Target: CPA1

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

MMP3 Tchem Matrix metalloproteinase 3 (3433 Activities)

Discover Target: MMP3

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

MMP8 Tchem Matrix metalloproteinase 8 (1942 Activities)

Discover Target: MMP8

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

DBH Tchem Dopamine beta-hydroxylase (131 Activities)

Discover Target: DBH

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

MMP1 Tchem Matrix metalloproteinase-1 (7046 Activities)

Discover Target: MMP1

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

ACHN (49357 Activities)

Lot Number	Certificate Type	Date	Item
L22161052	Certificate of Analysis	Jun 09, 2026	T112998
L22161051	Certificate of Analysis	Jun 09, 2026	T112998
L22161049	Certificate of Analysis	Jun 09, 2026	T112998
L22161040	Certificate of Analysis	Jun 09, 2026	T112998
L22161035	Certificate of Analysis	Jun 09, 2026	T112998
L2426169	Certificate of Analysis	Mar 16, 2026	T112998
A2621547	Certificate of Analysis	Jan 10, 2026	T112998
A2621548	Certificate of Analysis	Jan 10, 2026	T112998
D2621052	Certificate of Analysis	Jan 10, 2026	T112998
A2605153	Certificate of Analysis	Jan 10, 2026	T112998
J2517739	Certificate of Analysis	Oct 22, 2025	T112998
G2524043	Certificate of Analysis	Aug 01, 2025	T112998
D2528034	Certificate of Analysis	May 05, 2025	T112998
D2510028	Certificate of Analysis	Apr 19, 2025	T112998
L22161019	Certificate of Analysis	Apr 18, 2025	T112998
I2402080	Certificate of Analysis	Jul 13, 2024	T112998
I2402010	Certificate of Analysis	Jul 13, 2024	T112998
F2215499	Certificate of Analysis	Mar 18, 2024	T112998
F2215497	Certificate of Analysis	Mar 18, 2024	T112998
F2215595	Certificate of Analysis	Mar 18, 2024	T112998
F2215498	Certificate of Analysis	Mar 18, 2024	T112998
L2125231	Certificate of Analysis	Sep 22, 2023	T112998
L2125213	Certificate of Analysis	Sep 22, 2023	T112998
F2413077	Certificate of Analysis	Nov 29, 2022	T112998

Solubility	Soluble in water.
Sensitivity	heat sensitive&Moisture sensitive.
Flash Point(°F)	233.6 °F
Flash Point(°C)	112 °C
Boil Point(°C)	80-84°C
Melt Point(°C)	50-52°C
Molecular Weight	122.120 g/mol
XLogP3	0.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	122.037 Da
Monoisotopic Mass	122.037 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	209.000
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

Tropolone - Moligand™,≥98% , CAS No.533-75-5

Why this grade

Storage & shipping

Quality documents

Literature proof

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

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