Ethyl nitroacetate - CAS 626-35-7

Name: Ethyl nitroacetate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB031704
Product Name:	Ethyl nitroacetate
CAS:	626-35-7
Synonyms:	ethyl 2-nitroacetate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2-nitroacetate
Description:	Ethyl nitroacetate (CAS# 626-35-7) is a useful research chemical.
Molecular Weight:	133.10
Molecular Formula:	C4H7NO4
Canonical SMILES:	CCOC(=O)C[N+](=O)[O-]
InChI:	InChI=1S/C4H7NO4/c1-2-9-4(6)3-5(7)8/h2-3H2,1H3
InChI Key:	FTKASJMIPSSXBP-UHFFFAOYSA-N
Boiling Point:	105-107 °C (25 mmHg)
Purity:	95 %
Density:	1.199 g/cm³
Appearance:	Colorless liquid
Storage:	Keep Cold
MDL:	MFCD00007403
LogP:	0.34940

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Related Functional Groups

Carbonyl Compounds

[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

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

Publication Number	Title	Priority Date
WO-2021211864-A1	Fused tricyclic kras inhibitors	20200416
US-2021230162-A1	Spiro compounds as inhibitors of kras	20200120
WO-2021150613-A1	Spiro compounds as inhibitors of kras	20200120
US-2021269434-A1	Tricyclic compounds as inhibitors of kras	20200110
WO-2021138298-A1	Malt1 modulators and uses thereof	20191230

PMID	Publication Date	Title	Journal
20886821	20101105	Formation of γ-oxoacids and 1H-pyrrol-2(5H)-ones from α,β-unsaturated ketones and ethyl nitroacetate	The Journal of organic chemistry
19388033	20090810	Michael additions versus cycloaddition condensations with ethyl nitroacetate and electron-deficient olefins	Chemistry (Weinheim an der Bergstrasse, Germany)
21203190	20080712	Ethyl 1-O-tert-butyl-dimethyl-silyl-2,3-O-isopropyl-idene-5-[(2'S)-tetra-hydro-pyran-2-yl-oxy]-d-glycero-α-d-manno-hepto-furonate	Acta crystallographica. Section E, Structure reports online
17464405	20070507	Cyclochiral conformers of resorcin[4]arenes stabilized by hydrogen bonds	Organic & biomolecular chemistry
16248088	20050101	Functionalization of pyrimidine and purine nucleosides at C4 and C6: C-nucleophilic substitution of their C4- and C6-(1,2,4-triazol-1-yl) derivatives	Nucleosides, nucleotides & nucleic acids

Complexity:	116
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	133.03750770
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	133.03750770
Rotatable Bond Count:	3
Topological Polar Surface Area:	72.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5