2-Benzoxazolinone - 10mM in DMSO , CAS No.59-49-4

CAS: 59-49-4 Cat. No.: B424960 Formule: C7H5NO2 Poids moléculaire: 135.12 Beilstein Registry Number: 119481 Numéro CE: 200-430-0
DISPONIBLE À COMMANDE
GRADE & PURITY 10mM in DMSO
Synonyms
BBL027537 | CCG-266124 | AB00979475-01 | BBL101875 | Z56854468 | 2(3H)-Benzoxazolinone | BDBM50168000 | Benzo[d]oxazol-2-ol | AC-10467 | DTXSID9049324 | MFCD19300814 | 2-BENZOXAZOLINONE | AMY2575 | Benzoxazolinone | CHEBI:145233 | SMR000112271 | 9T-0220 |
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
Size
Allemagne (EU)
USA*
Price
Qty
1ml
B424960-1ml
—
1 En stock

51,11€

60,65€
Enregistrer 9,55 € (15.74%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Vue d’ensemble

2-Benzoxazolinone is a phytoanticipin and its biotransformation by endophytic fungi isolated from Aphelandra tetragona was studied. 2-Benzoxazolinone is a natural chemical produced by rye (Secale cereale) and has strong phytotoxic properties.

Specifications

Synonymes
BBL027537 | CCG-266124 | AB00979475-01 | BBL101875 | Z56854468 | 2(3H)-Benzoxazolinone | BDBM50168000 | Benzo[d]oxazol-2-ol | AC-10467 | DTXSID9049324 | MFCD19300814 | 2-BENZOXAZOLINONE | AMY2575 | Benzoxazolinone | CHEBI:145233 | SMR000112271 | 9T-0220 |
Spécifications et pureté
10mM in DMSO
Conditions de stockage de stockage
Store at -80°C
Expédié en
Dry ice packs + Cold packs
Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.
Type d'action
INHIBITOR
Noms et identifiants
Pubchem Sid528757644
Sourires canoniquesC1=CC=C2C(=C1)NC(=O)O2
IUPAC Name3H-1,3-benzoxazol-2-one
InChIKeyASSKVPFEZFQQNQ-UHFFFAOYSA-N
INCHI1S/C7H5NO2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
Isomères SMILES C1=CC=C2C(=C1)NC(=O)O2
WGK Allemagne 3
RTECS DM4905000
Poids moléculaire 135.12
Beilstein 119481
Reaxy-Rn 119481
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=119481&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
SuperclassOrganoheterocyclic compounds
ClasseBenzoxazoles
SubclassBenzoxazolones
Intermediate Tree Nodes Not available
Direct ParentBenzoxazolones
Alternative Parents Benzenoids  Oxazoles  Heteroaromatic compounds  Oxacyclic compounds  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzoxazolone - Benzenoid - Heteroaromatic compound - Oxazole - Azole - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
DescriptionThis 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
Structure 3D
Modèle de structure chimique interactif





Cibles associées (humaines)
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DAO Tchem D-amino-acid oxidase (802 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OGT Tchem UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit (206 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cibles associées (non humaines)
ampC Beta-lactamase AmpC (62480 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
COS-7 (515 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mast cell (119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Abutilon theophrasti (831 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
Point d'éclair (°F)320 °F
Point d'éclair (°C)160 °C
Point de fusion (°C)139-142°C
Poids moléculaire135.120 g/mol
XLogP31.200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass135.032 Da
Monoisotopic Mass135.032 Da
Topological Polar Surface Area38.300 Ų
Heavy Atom Count10
Formal Charge0
Complexity158.000
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
FAQ et articles
Calculateurs de solution
Avis

Avis des clients

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.