6-Nitro-2H-1,4-benzoxazin-3(4H)-one - CAS 81721-87-1

Catalog:	BB036701
Product Name:	6-Nitro-2H-1,4-benzoxazin-3(4H)-one
CAS:	81721-87-1
Synonyms:	6-nitro-4H-1,4-benzoxazin-3-one; 6-nitro-4H-1,4-benzoxazin-3-one

Technical Data

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Computed Properties

IUPAC Name:	6-nitro-4H-1,4-benzoxazin-3-one
Description:	6-Nitro-2H-1,4-benzoxazin-3(4H)-one (CAS# 81721-87-1) is a useful research chemical.
Molecular Weight:	194.14
Molecular Formula:	C8H6N2O4
Canonical SMILES:	C1C(=O)NC2=C(O1)C=CC(=C2)[N+](=O)[O-]
InChI:	InChI=1S/C8H6N2O4/c11-8-4-14-7-2-1-5(10(12)13)3-6(7)9-8/h1-3H,4H2,(H,9,11)
InChI Key:	UNYXDJBNODSRRC-UHFFFAOYSA-N
Boiling Point:	424.3 °C at 760 mmHg
Density:	1.474 g/cm³
MDL:	MFCD03425744
LogP:	1.58690

Publication Number	Title	Priority Date
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
US-2020148878-A1	Curable composition including epoxy resin and curable solid filler	20170731
WO-2019027746-A1	CURABLE COMPOSITION COMPRISING EPOXY RESIN AND CURABLE SOLID CHARGE	20170731
US-11078358-B2	Curable composition including epoxy resin and curable solid filler	20170731

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Related Functional Groups

Nitrogen Compounds

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[1170836-25-5]
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2-(1-Benzyl-4-piperidyl)acetonitrile

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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:	263
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.03275668
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	194.03275668
Rotatable Bond Count:	0
Topological Polar Surface Area:	84.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7