ニトロ酢酸メチル - ≥97%以上(GC) , CAS No.2483-57-0

CAS: 2483-57-0 Cat. No.: M158866 分子式: C₃H₅NO₄ 分子量: 119.08 EC番号: 219-622-0

GRADE & PURITY ≥97%(GC)

Synonyms

MFCD00075480 | Methyl2-nitroacetate | AKOS009157148 | Methyl 2-nitroacetate | Acetic acid, 2-nitro-, methyl ester | 2-nitroacetic acid methyl ester | DTXSID10179539 | NSC16153 | EN300-60150 | FT-0628904 | Nitroacetic acid methyl ester | STR09118 | AM86803

Storage

Room temperature

Shipped In

ノーマル

概要

ニトロ酢酸メチルは、以下のように使用することができる： ... 芳香族およびヘテロ芳香族直鎖(E)-α-ニトロ-アリールペンテノエートの調製において ... フェニルヨードニウムイリドを生成するために、アルケンの高度にエナンチオ選択的かつジアステレオ選択的なCu(I)-触媒シクロプロパン化において使用される ... 4-ニトロベンジリデンアニリンとの反応を介して、メチル(Z)-2-ニトロ-3-(4-ニトロフェニル)-2-プロペノエートの調製において

Specifications

同義語

MFCD00075480 | Methyl2-nitroacetate | AKOS009157148 | Methyl 2-nitroacetate | Acetic acid, 2-nitro-, methyl ester | 2-nitroacetic acid methyl ester | DTXSID10179539 | NSC16153 | EN300-60150 | FT-0628904 | Nitroacetic acid methyl ester | STR09118 | AM86803

仕様と純度

≥97%以上(GC)

保管条件

Room temperature

入荷

ノーマル

純度

≥97%(GC)

名前と識別子

• パブケム・シド: 488182367
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488182367
• カノニカル・スマイル: COC(=O)C[N+](=O)[O-]
• IUPAC Name: methyl 2-nitroacetate
• InChIKey: ALBSWLMUHHZLLR-UHFFFAOYSA-N
• INCHI: 1S/C3H5NO4/c1-8-3(5)2-4(6)7/h2H2,1H3
• 異性体SMILES: COC(=O)C[N+](=O)[O-]
• WGKドイツ: 2
• RTECS: AJ1093000
• 分子量: 119.08
• Reaxy-Rn: 1758670
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1758670&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Methyl esters C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid ester - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

化学的性質と物理的性質

• 溶解度: Miscible with ethanol, ether and most organic solvents.
• 感度: light sensitive
• 屈折率: 1.425
• 引火点（°F）: 221 °F
• 引火点（°C）: 105℃
• 沸点（°C）: 195-198℃
• 分子量: 119.080 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 119.022 Da
• Monoisotopic Mass: 119.022 Da
• Topological Polar Surface Area: 72.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 104.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

よくある質問

How should this product be stored?

Store at room temperature.

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2483-57-0, the molecular formula is C3H5NO4, and the molecular weight is 119.08 g/mol. InChIKey ALBSWLMUHHZLLR-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.