4-(4-Nitrophenyl)morpholin-3-one - CAS 446292-04-2

Name: 4-(4-Nitrophenyl)morpholin-3-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB025670
Product Name:	4-(4-Nitrophenyl)morpholin-3-one
CAS:	446292-04-2
Synonyms:	4-(4-nitrophenyl)-3-morpholinone; 4-(4-nitrophenyl)morpholin-3-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-(4-nitrophenyl)morpholin-3-one
Description:	Reagent used in the preparation of various Morpholine based pharmaceuticals. Rivaroxaban Impurity 52.
Molecular Weight:	222.20
Molecular Formula:	C10H10N2O4
Canonical SMILES:	C1COCC(=O)N1C2=CC=C(C=C2)[N+](=O)[O-]
InChI:	InChI=1S/C10H10N2O4/c13-10-7-16-6-5-11(10)8-1-3-9(4-2-8)12(14)15/h1-4H,5-7H2
InChI Key:	OWMGEFWSGOTGAU-UHFFFAOYSA-N
Boiling Point:	516.802 °C at 760 mmHg
Density:	1.379 g/cm³
MDL:	MFCD08236741
LogP:	1.54620

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-111721858-A	Method for determining genotoxic impurities in rivaroxaban	20200603
CN-112939893-A	Synthesis method of 4- (4-aminophenyl) -3-morpholinone	20191210
JP-2020097547-A	Process for producing 4-(4-aminophenyl)-3-morpholinone	20181219
CN-110746370-A	Preparation method of 4- (4-aminophenyl) morpholine-3-one	20180723
WO-2020019529-A1	Preparation method for 4-(4-aminophenyl)morpholin-3-one	20180723

Complexity:	281
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.06405680
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	222.06405680
Rotatable Bond Count:	1
Topological Polar Surface Area:	75.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8