2-Methoxy-5-nitrobenzoic Acid Methyl Ester - ≥98%(GC) , CAS No.34841-11-7

CAS: 34841-11-7 Cat. No.: M140233 Fórmula: C₉H₉NO₅ Peso molecular: 211.17 Beilstein Registry Number: 10(4)259

GRADE & PURITY ≥98%(GC)

Synonyms

M1437 | Methyl 2-methoxy-5-nitrobenzoate | SY056481 | STK661605 | Methyl 5-Nitro-o-anisate | methyl-2-methoxy-5-nitrobenzoate | A6115 | s10873 | 2-Methoxy-5-nitrobenzoic Acid Methyl Ester | 2-Methoxy-5-nitro-benzoic acid methyl ester | AM84013 | AS-60926

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

M1437 | Methyl 2-methoxy-5-nitrobenzoate | SY056481 | STK661605 | Methyl 5-Nitro-o-anisate | methyl-2-methoxy-5-nitrobenzoate | A6115 | s10873 | 2-Methoxy-5-nitrobenzoic Acid Methyl Ester | 2-Methoxy-5-nitro-benzoic acid methyl ester | AM84013 | AS-60926

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

Pubchem Sid

488196144

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196144

Sorrisos canónicos

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC

IUPAC Name

methyl 2-methoxy-5-nitrobenzoate

InChIKey

DOBFJVVTBNTGCW-UHFFFAOYSA-N

INCHI

1S/C9H9NO5/c1-14-8-4-3-6(10(12)13)5-7(8)9(11)15-2/h3-5H,1-2H3

SMILES isoméricas

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC

Peso molecular

211.17

Beilstein

10(4)259

Reaxy-Rn

2584063

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2584063&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzoic acids and derivatives
• Alternative Parents: O-methoxybenzoic acids and derivatives Nitrophenyl ethers Benzoic acid esters Methoxyanilines Phenoxy compounds Anisoles Benzoyl derivatives Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Methyl esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organonitrogen compounds Organic salts Organic oxides Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzoate - Nitrophenyl ether - O-methoxybenzoic acid or derivatives - Benzoate ester - Nitrobenzene - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Ether - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
• 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

Propriedades químicas e físicas

• Solubilidade: Soluble in Toluene
• Ponto de fusão (°C): 99-102°C
• Peso molecular: 211.170 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 211.048 Da
• Monoisotopic Mass: 211.048 Da
• Topological Polar Surface Area: 81.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 249.000
• 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

Perguntas frequentes

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

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 34841-11-7, the molecular formula is C9H9NO5, and the molecular weight is 211.17 g/mol. InChIKey DOBFJVVTBNTGCW-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.