2H-1,3-Benzoxazine-2,4(3H)-dione - 10mM in DMSO , CAS No.2037-95-8

CAS: 2037-95-8 Cat. No.: H422479 Molecular Weight: 163.13 EC Number: 606-541-4
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GRADE & PURITY 10mM in DMSO
Synonyms
AMY3892 | DTXSID3046584 | 4-27-00-03326 (Beilstein Handbook Reference) | SR-01000392668 | HY-B1047 | InChI=1/C8H5NO3/c10-7-5-3-1-2-4-6(5)12-8(11)9-7/h1-4H,(H,9,10,11 | J9W | NCGC00166265-02 | Tox21 112383 | 2H-1,4(3H)-dione | 3,4-dihydro-2H-1,3-benzoxazin
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1ml
H422479-1ml
2

$58.90

$69.90
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Why this grade

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

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs 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

Synonyms
AMY3892 | DTXSID3046584 | 4-27-00-03326 (Beilstein Handbook Reference) | SR-01000392668 | HY-B1047 | InChI=1/C8H5NO3/c10-7-5-3-1-2-4-6(5)12-8(11)9-7/h1-4H, (H, 9, 10, 11 | J9W | NCGC00166265-02 | Tox21 112383 | 2H-1, 4(3H)-dione | 3, 4-dihydro-2H-1, 3-benzoxazin
Specifications & Purity
10mM in DMSO
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers
Canonical SmilesC1=CC=C2C(=C1)C(=O)NC(=O)O2
IUPAC Name1,3-benzoxazine-2,4-dione
InChIKeyOAYRYNVEFFWSHK-UHFFFAOYSA-N
INCHI1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)12-8(11)9-7/h1-4H,(H,9,10,11)
Isomeric SMILES C1=CC=C2C(=C1)C(=O)NC(=O)O2
WGK Germany 3
RTECS DM3110000
Molecular Weight 163.13
Reaxy-Rn 136767
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=136767&ln=

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.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassBenzoxazines
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzoxazines
Alternative Parents Benzenoids  Heteroaromatic compounds  Lactams  Oxacyclic compounds  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzoxazine - Benzenoid - Heteroaromatic compound - Lactam - 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 benzoxazines. These are organic compounds containing a benzene fused to an oxazine ring (a six-membered aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom).
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Melt Point(°C)228-232°C
Molecular Weight163.130 g/mol
XLogP31.000
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass163.027 Da
Monoisotopic Mass163.027 Da
Topological Polar Surface Area55.400 Ų
Heavy Atom Count12
Formal Charge0
Complexity226.000
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
Solution Calculators
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