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2H-1,4-Benzoxazin-3(4H)-one - >98.0%(GC), high purity , CAS No.5466-88-6

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2H-1,4-Benzoxazin-3(4H)-one - >98.0%(GC), high purity , CAS No.5466-88-6

≥98%(GC)

CAS#: 5466-88-6
Formula: C₈H₇NO₂
Molecular Weight: 149.15
MDL number: MFCD00158536
PubChem CID: 72757
PubChem SID: 488184709

Item Number

H157370

Grouped product items
SKU	Size	Availability	Price
H157370-1g	1g	In stock	$9.90
H157370-5g	5g	In stock	$23.90
H157370-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$42.90
H157370-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$96.90

View related series

Oxazines Six-Membered Heterocyclic Compounds

Basic Description

Synonyms	2H-1,4-Benzoxazin-3(4H)-one \| 5466-88-6 \| 2H-1,4-Benzoxazin-3-one \| 2H-benzo[b][1,4]oxazin-3(4H)-one \| 4H-1,4-benzoxazin-3-one \| 3-Oxo-4H-benzo[1,4]oxazine \| MFCD00158536 \| 3,4-dihydro-2H-1,4-benzoxazin-3-one \| CHEMBL460153 \| Q0QAF5G662 \| NSC-26354 \| 4h-benzo(1,4)oxazin-3-one \|
Specifications & Purity	≥98%(GC)
Shipped In	Normal
Product Description	2H-1,4-Benzoxazin-3(4H)-one, a benzoxazine derivative, is a heterocyclic building block for various natural and synthetic organic compounds. It has been reported as an intermediate during the biogenesis of cyclic hydoxamic acids in maize. Its standard molar enthalpy of formation and tautomerization energy of its tautomers has been evaluated by calorimetric and computational methods. It has been synthesized by reacting o-aminophenol with chloroacetyl chloride in the presence of butanone and aqueous NaHCO3.

Associated Targets(Human)

PARP1 Tclin Poly [ADP-ribose] polymerase 1 (0 Activities)

Discover Target: PARP1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PARP1 Tclin Poly [ADP-ribose] polymerase-1 (6206 Activities)

Discover Target: PARP1

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

Associated Targets(non-human)

Candida albicans (78123 Activities)

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

Mus musculus (284745 Activities)

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

Rhopalosiphum padi (121 Activities)

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

Names and Identifiers

Pubchem Sid	488184709
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488184709
IUPAC Name	4H-1,4-benzoxazin-3-one
INCHI	InChI=1S/C8H7NO2/c10-8-5-11-7-4-2-1-3-6(7)9-8/h1-4H,5H2,(H,9,10)
InChi Key	QRCGFTXRXYMJOS-UHFFFAOYSA-N
Canonical SMILES	C1C(=O)NC2=CC=CC=C2O1
Isomeric SMILES	C1C(=O)NC2=CC=CC=C2O1
WGK Germany	3
PubChem CID	72757
Molecular Weight	149.15

Certificates

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1 results found

Lot Number	Certificate Type	Date	Item
F1918172	Certificate of Analysis	Apr 11, 2023	H157370

Chemical and Physical Properties

Melt Point(°C)	173-175°C

Safety and Hazards(GHS)

Pictogram(s)	GHS07
Signal	Warning
Hazard Statements	H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation
Precautionary Statements	P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell.
WGK Germany	3

References

1. Jiu Hong Wu,Fang Rong Chang,Ken ichiro Hayashi,Hiroaki Shiraki,Chih Chuang Liaw,Yuka Nakanishi,Kenneth F Bastow,Donglei Yu,Ih Sheng Chen,Kuo Hsiung Lee. (2003-06-12) Antitumor agents. Part 218: Cappamensin A, a new In vitro anticancer principle, from Capparis sikkimensis.. Bioorganic & medicinal chemistry letters, 13 ((13)): (2223-2225). [PMID:12798338]
2. Moreshwar B Chaudhari,Krishna Jayan,Boopathy Gnanaprakasam. (2020-01-31) Sn-Catalyzed Criegee-Type Rearrangement of Peroxyoxindoles Enabled by Catalytic Dual Activation of Esters and Peroxides.. The Journal of organic chemistry, 85 ((5)): (3374-3382). [PMID:31999928]

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