Methyl 2-azidobenzoate solution - ~0.5M in tert-butyl methyl ether , CAS No.16714-23-1

CAS: 16714-23-1 Cat. No.: M462924 Summenformel: C₈H₇N₃O₂ Molekulargewicht: 177.16 EG-Nummer: 685-715-1

GRADE & PURITY ~0.5M in tert-butyl methyl ether

Synonyms

methyl o-azidobenzoate | F2157-0523 | STL192359 | Benzoic acid, 2-azido-, methyl ester | BS-11058 | AKOS022060852 | EN300-207153 | MFCD00211379 | DTXSID60454207 | Methyl 2-azidobenzoate | SCHEMBL14010929

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Description

Review

Specifications

Synonyme

methyl o-azidobenzoate | F2157-0523 | STL192359 | Benzoic acid, 2-azido-, methyl ester | BS-11058 | AKOS022060852 | EN300-207153 | MFCD00211379 | DTXSID60454207 | Methyl 2-azidobenzoate | SCHEMBL14010929

Spezifikationen & Reinheit

~0.5M in tert-butyl methyl ether

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

• Kanonisches Lächeln: COC(=O)C1=CC=CC=C1N=[N+]=[N-]
• IUPAC Name: methyl 2-azidobenzoate
• InChIKey: LGHLODHMWICPLN-UHFFFAOYSA-N
• INCHI: 1S/C8H7N3O2/c1-13-8(12)6-4-2-3-5-7(6)10-11-9/h2-5H,1H3
• Isomere SMILES: COC(=O)C1=CC=CC=C1N=[N+]=[N-]
• WGK Deutschland: 3
• Molekulargewicht: 177.16
• Reaxy-Rn: 475220
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=475220&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Ebene5 Benzoic acids
          • Ebene6 2-azidobenzoic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Benzoic acids
• Direct Parent: 2-azidobenzoic acids
• Alternative Parents: Benzoic acid esters Phenylazides Benzoyl derivatives Methyl esters Azo imides Azo compounds Organooxygen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2-azidobenzoic acid - Benzoate ester - Benzoyl - Phenylazide - Methyl ester - Azo compound - Carboxylic acid ester - Azo imide - Carboxylic acid derivative - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic cation - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 2-azidobenzoic acids. These are compounds containing an azide group at the 2-position of a benzoic acid.
• 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

• Flammpunkt (°F): -27.4 °F
• Flammpunkt (°C): -33 °C
• Molekulargewicht: 177.160 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 177.054 Da
• Monoisotopic Mass: 177.054 Da
• Topological Polar Surface Area: 40.700 Ų
• Heavy Atom Count: 13
• 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

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 16714-23-1, the molecular formula is C8H7N3O2, and the molecular weight is 177.16 g/mol. InChIKey LGHLODHMWICPLN-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.