Methyl 2-hydroxy-5-nitrobenzoate - ≥98% , CAS No.17302-46-4

CAS: 17302-46-4 Cat. No.: M132512 Summenformel: C₈H₇NO₅ Molekulargewicht: 197.15 EG-Nummer: 241-330-7

GRADE & PURITY ≥98%

Synonyms

STL577361 | DTXSID30169497 | UNII-1BZI3G8JIL | AM86693 | methyl 2-hydroxy-5-nitrobenzoate | AS-10806 | EN300-6729451 | EINECS 241-330-7 | MFCD00024695 | H11277 | AC-25152 | Methyl 5-nitro-2-hydroxybenzoate | Methyl 5-nitrosalicylate | methyl 5-nitro-salic

Storage

Room temperature

Shipped In

Normal

Übersicht

Application：

Methyl 2-hydroxy-5-nitrobenzoate is used as pharmaceutical intermediate.

Specifications

Synonyme

STL577361 | DTXSID30169497 | UNII-1BZI3G8JIL | AM86693 | methyl 2-hydroxy-5-nitrobenzoate | AS-10806 | EN300-6729451 | EINECS 241-330-7 | MFCD00024695 | H11277 | AC-25152 | Methyl 5-nitro-2-hydroxybenzoate | Methyl 5-nitrosalicylate | methyl 5-nitro-salic

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488186391
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186391
• Kanonisches Lächeln: COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])O
• IUPAC Name: methyl 2-hydroxy-5-nitrobenzoate
• InChIKey: UUBFELFUKFJSRD-UHFFFAOYSA-N
• INCHI: 1S/C8H7NO5/c1-14-8(11)6-4-5(9(12)13)2-3-7(6)10/h2-4,10H,1H3
• Isomere SMILES: COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])O
• Molekulargewicht: 197.15
• Reaxy-Rn: 2582031
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2582031&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzoic acids and derivatives
• Alternative Parents: o-Hydroxybenzoic acid esters Salicylic acid and derivatives Nitrophenols Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Methyl esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzoate - O-hydroxybenzoic acid ester - Benzoate ester - Nitrophenol - Salicylic acid or derivatives - Nitrobenzene - Benzoyl - Nitroaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous acid - Methyl ester - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water.
• Schmelzpunkt (°C): 114-117℃
• Molekulargewicht: 197.140 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 197.032 Da
• Monoisotopic Mass: 197.032 Da
• Topological Polar Surface Area: 92.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 236.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). 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 17302-46-4, the molecular formula is C8H7NO5, and the molecular weight is 197.15 g/mol. InChIKey UUBFELFUKFJSRD-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.