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2H-1,3-Benzoxazine-2,4(3H)-dione - 98%, high purity , CAS No.2037-95-8

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2H-1,3-Benzoxazine-2,4(3H)-dione - 98%, high purity , CAS No.2037-95-8

COA

Grade & Purity:

≥98%

Cas Number: 2037-95-8
Molecular Weight: 163.13
MDL number: MFCD00600566
PubChem CID: 16258
PubChem SID: 488182221

In stock

Item Number

B123043

Grouped product items
SKU	Size	Availability	Price
B123043-5g	5g	5	$15.90
B123043-25g	25g	3	$48.90
B123043-100g	100g	3	$148.90

Basic Description

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	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzoxazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzoxazines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzoxazines
Alternative Parents	Benzenoids Heteroaromatic compounds Lactams Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic 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
Description	This 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
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

Associated Targets(Human)

PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

Discover Target: PIN1

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488182221
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488182221
IUPAC Name	1,3-benzoxazine-2,4-dione
INCHI	InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)12-8(11)9-7/h1-4H,(H,9,10,11)
InChIKey	OAYRYNVEFFWSHK-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C(=O)NC(=O)O2
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=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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.

8 results found

Lot Number	Certificate Type	Date	Item
B2317377	Certificate of Analysis	Jan 10, 2023	B123043
B2317357	Certificate of Analysis	Jan 10, 2023	B123043
B2317375	Certificate of Analysis	Jan 10, 2023	B123043
B2317364	Certificate of Analysis	Jan 10, 2023	B123043
B2317372	Certificate of Analysis	Jan 10, 2023	B123043
D1513010	Certificate of Analysis	Jan 04, 2023	B123043
H2203259	Certificate of Analysis	Jun 10, 2022	B123043
H2203258	Certificate of Analysis	Jun 10, 2022	B123043

Chemical and Physical Properties

Melt Point(°C)	228-232°C
Molecular Weight	163.130 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	163.027 Da
Monoisotopic Mass	163.027 Da
Topological Polar Surface Area	55.400 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	226.000
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

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