6-Hydroxy-2-benzoxazolinone - ≥97% , CAS No.78213-03-3

Name: 6-Hydroxy-2-benzoxazolinone - ≥97% , CAS No.78213-03-3
SKU: H343182
Availability: InStock

CAS: 78213-03-3 Cat. No.: H343182 Summenformel: C₇H₅NO₃ Molekulargewicht: 151.12 EG-Nummer: 625-364-3

COA

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6-Hydroxy-2-benzoxazolinone - ≥97% CAS No(78213-03-3) by Aladdin Scientific

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GRADE & PURITY ≥97%

Synonyms

FT-0691221 | NCIMech_000107 | NSC603719 | NSC-603719 | 6-hydroxybenzoxazolin-2(3h)-one | 6-Hydroxy-2-benzoxazolinone 97 | NCI60_004604 | SCHEMBL241569 | STL434344 | SCHEMBL17265862 | 6-HYDROXYBENZO[D]OXAZOL-2(3H)-ONE | CCG-35345 | BS-24460 | 6-Hydroxy-2(

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications Namen und Kennungen Documentation Advanced Data Taxonomic Classification 3D-Struktur Zugehörige Ziele (menschlich) Wirkungsmechanismen Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften Lösungsrechner Bewertungen Häufig gestellte Fragen

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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyme

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln	C1=CC2=C(C=C1O)OC(=O)N2
IUPAC Name	6-hydroxy-3H-1,3-benzoxazol-2-one
InChIKey	XIYXDPMPFOQCFW-UHFFFAOYSA-N
INCHI	1S/C7H5NO3/c9-4-1-2-5-6(3-4)11-7(10)8-5/h1-3,9H,(H,8,10)
Isomere SMILES	C1=CC2=C(C=C1O)OC(=O)N2
WGK Deutschland	3
Molekulargewicht	151.12
Reaxy-Rn	136287
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=136287&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

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Klasse Benzoxazoles
    - Subclass Benzoxazolones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Klasse	Benzoxazoles
Subclass	Benzoxazolones
Intermediate Tree Nodes	Not available
Direct Parent	Benzoxazolones
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids Oxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzoxazolone - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Azole - Oxazole - Heteroaromatic compound - Azacycle - Oxacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Beschreibung	This compound belongs to the class of organic compounds known as benzoxazolones. These are organic compounds containing a benzene fused to an oxazole ring (a five-member aliphatic ring with three carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group.
External Descriptors	Not available
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-Struktur

Zugehörige Ziele (menschlich)

A498 (42825 Activities)

Schmelzpunkt (°C)	>300° C (lit.)
Molekulargewicht	151.120 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	151.027 Da
Monoisotopic Mass	151.027 Da
Topological Polar Surface Area	58.600 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	183.000
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