Methyl nitroacetate - CAS 2483-57-0

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

Catalog:	BB018638
Product Name:	Methyl nitroacetate
CAS:	2483-57-0
Synonyms:	methyl 2-nitroacetate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-nitroacetate
Description:	Methyl nitroacetate (CAS# 2483-57-0) is a compound that can cause acute and chronic toxicity in mice, rats, and guinea pigs. The recommended maximum permissible concentration used in the working area is 5 mg/m3.
Molecular Weight:	119.08
Molecular Formula:	C3H5NO4
Canonical SMILES:	COC(=O)C[N+](=O)[O-]
InChI:	InChI=1S/C3H5NO4/c1-8-3(5)2-4(6)7/h2H2,1H3
InChI Key:	ALBSWLMUHHZLLR-UHFFFAOYSA-N
Boiling Point:	195-198 °C
Purity:	95 %
Density:	1.294 g/cm³
Appearance:	Colorless to yellow liquid
MDL:	MFCD00075480
LogP:	-0.04070

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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
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[17746-05-3]C11H21ClO
Undecanoyl chloride
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[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
CN-113072495-A	Preparation method of intermediate of roxasistat	20210324
CN-112374992-A	Preparation method of ticagrelor tricyclic intermediate	20200924
CN-112374993-A	Preparation method of intermediate compound for processing ticagrelor tricyclic intermediate	20200924
WO-2021201054-A1	Non-aqueous electrolyte for battery, precursor for lithium secondary battery, method for manufacturing lithium secondary battery, lithium secondary battery, phosphazene compound, and additive for battery	20200331
KR-20210116266-A	Method and system for backside planar view lamella preparation	20200316

PMID	Publication Date	Title	Journal
18831588	20081029	Catalytic intermolecular allylic C-H alkylation	Journal of the American Chemical Society
16366547	20051228	Expedient synthesis of cyclopropane alpha-amino acids by the catalytic asymmetric cyclopropanation of alkenes using iodonium ylides derived from methyl nitroacetate	Journal of the American Chemical Society

Complexity:	104
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	119.02185764
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	119.02185764
Rotatable Bond Count:	2
Topological Polar Surface Area:	72.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1