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