3-Boronobenzohydrazide - ≥97% , CAS No.913835-79-7

CAS: 913835-79-7 Cat. No.: B188109 Summenformel: C7H9BN2O3 Molekulargewicht: 180

GRADE & PURITY ≥97%

Synonyms

SCHEMBL1445203 | DTXSID80657177 | MFCD08689505 | 3-aminocarbamoylphenylboronic acid | 3-Boronobenzhydrazide | NKQNSAXAGLKZBP-UHFFFAOYSA-N | [3-(Hydrazinecarbonyl)phenyl]boronic acid | BS-29676 | 3-Boronobenzohydrazide | AKOS006222055 | Benzoicacid,3-boron

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

SCHEMBL1445203 | DTXSID80657177 | MFCD08689505 | 3-aminocarbamoylphenylboronic acid | 3-Boronobenzhydrazide | NKQNSAXAGLKZBP-UHFFFAOYSA-N | [3-(Hydrazinecarbonyl)phenyl]boronic acid | BS-29676 | 3-Boronobenzohydrazide | AKOS006222055 | Benzoicacid,3-boron

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: B(C1=CC(=CC=C1)C(=O)NN)(O)O
• IUPAC Name: [3-(hydrazinecarbonyl)phenyl]boronic acid
• InChIKey: NKQNSAXAGLKZBP-UHFFFAOYSA-N
• INCHI: 1S/C7H9BN2O3/c9-10-7(11)5-2-1-3-6(4-5)8(12)13/h1-4,12-13H,9H2,(H,10,11)
• Isomere SMILES: B(C1=CC(=CC=C1)C(=O)NN)(O)O
• Molekulargewicht: 180
• Reaxy-Rn: 51106964
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=51106964&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: Benzoic acids and derivatives
• Alternative Parents: Benzoyl derivatives Carboxylic acid hydrazides Boronic acids Organic metalloid salts Organooxygen compounds Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid or derivatives - Benzoyl - Carboxylic acid hydrazide - Boronic acid - Boronic acid derivative - Organic metalloid salt - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
• 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

• Molekulargewicht: 179.970 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 180.071 Da
• Monoisotopic Mass: 180.071 Da
• Topological Polar Surface Area: 95.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 189.000
• 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

XLogP3

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% 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 913835-79-7, the molecular formula is C7H9BN2O3, and the molecular weight is 180 g/mol. InChIKey NKQNSAXAGLKZBP-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.