Metile 3-metossi-2-nitrobenzoato - ≥98%(GC) , CAS No.5307-17-5

CAS: 5307-17-5 Cat. No.: M158147 Formula: C₉H₉NO₅ Peso molecolare: 211.17

GRADE & PURITY ≥98%(GC)

Synonyms

BIM-0008596.P001 | CCG-235229 | METHYL3-METHOXY-2-NITROBENZOATE | AKOS015998598 | HMS547I12 | CB11470 | MFCD00051968 | SCHEMBL2521491 | SY041189 | Methyl 2-Nitro-m-anisate | Methyl 3-methoxy-2-nitrobenzoate | methyl 3-methoxy-2-nitro-benzoate | Benzoic ac

Storage

Room temperature

Shipped In

Normale

Specifications

Sinonimi

BIM-0008596.P001 | CCG-235229 | METHYL3-METHOXY-2-NITROBENZOATE | AKOS015998598 | HMS547I12 | CB11470 | MFCD00051968 | SCHEMBL2521491 | SY041189 | Methyl 2-Nitro-m-anisate | Methyl 3-methoxy-2-nitrobenzoate | methyl 3-methoxy-2-nitro-benzoate | Benzoic ac

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normale

Purezza

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 488185687
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185687
• Sorrisi canonici: COC1=CC=CC(=C1[N+](=O)[O-])C(=O)OC
• IUPAC Name: methyl 3-methoxy-2-nitrobenzoate
• InChIKey: FDQQRLPHAAICCR-UHFFFAOYSA-N
• INCHI: 1S/C9H9NO5/c1-14-7-5-3-4-6(9(11)15-2)8(7)10(12)13/h3-5H,1-2H3
• Isomeri SMILES: COC1=CC=CC(=C1[N+](=O)[O-])C(=O)OC
• Peso molecolare: 211.17
• Reaxy-Rn: 2697098
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2697098&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: M-methoxybenzoic acids and derivatives Nitrophenyl ethers Benzoic acid esters Methoxyanilines Phenoxy compounds Anisoles Benzoyl derivatives Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Methyl esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzoate - M-methoxybenzoic acid or derivatives - Nitrophenyl ether - Benzoate ester - Nitrobenzene - Methoxyaniline - Anisole - Benzoyl - Phenoxy compound - Nitroaromatic compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Methyl ester - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Organopnictogen compound - Organic oxide - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 142 °C
• Peso molecolare: 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

Domande frequenti

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 ≥98% 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 5307-17-5, the molecular formula is C9H9NO5, and the molecular weight is 211.17 g/mol. InChIKey FDQQRLPHAAICCR-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.