6-Methyl-2H-benzo[b][1,4]oxazin-3(4H)-one - CAS 39522-26-4

Catalog:	BB024015
Product Name:	6-Methyl-2H-benzo[b][1,4]oxazin-3(4H)-one
CAS:	39522-26-4
Synonyms:	6-methyl-4H-1,4-benzoxazin-3-one; 6-methyl-4H-1,4-benzoxazin-3-one

Technical Data

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Computed Properties

IUPAC Name:	6-methyl-4H-1,4-benzoxazin-3-one
Description:	6-Methyl-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS# 39522-26-4) is a useful research chemical.
Molecular Weight:	163.17
Molecular Formula:	C9H9NO2
Canonical SMILES:	CC1=CC2=C(C=C1)OCC(=O)N2
InChI:	InChI=1S/C9H9NO2/c1-6-2-3-8-7(4-6)10-9(11)5-12-8/h2-4H,5H2,1H3,(H,10,11)
InChI Key:	JSBZPNRRLJLZBE-UHFFFAOYSA-N
Boiling Point:	340.8 °C at 760 mmHg
Density:	1.198 g/cm³
MDL:	MFCD01321311
LogP:	1.46390

Publication Number	Title	Priority Date
WO-2021124222-A1	Pyrazolyl derivatives useful as anti-cancer agents	20191220
WO-2020156162-A1	Mek inhibitor and pharmaceutical use thereof	20190129
CN-107652249-B	Synthesis process of 1, 4 benzoxazinone compound	20170926
CN-110997748-A	Curable composition comprising an epoxy resin and a curable solid filler	20170731
EP-3661990-A1	Curable composition including epoxy resin and curable solid filler	20170731

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Related Functional Groups

Benzoxazines

[1365965-22-5]
2,2-Dimethyl-5-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one
[1780189-83-4]
5-Methoxy-1H-benzo[d][1,3]oxazin-2(4H)-one
[103361-99-5]
7-Fluoro-2H-1,4-benzoxazin-3(4H)-one
[1780907-91-6]
5-Chloro-1H-benzo[d][1,3]oxazin-2(4H)-one
[627870-58-0]
6-Ethynyl-2H-benzo[b][1,4]oxazin-3(4H)-one
[82419-29-2]
7,8-Difluoro-3,4-dihydro-2H-1,4-benzoxazine

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.063328530
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	163.063328530
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2