2'-Aminobenzophenone-2-carboxylic Acid - ≥97% , CAS No.1147-43-9

CAS: 1147-43-9 Cat. No.: A151468 Molecular Weight: 241.25 Beilstein Registry Number: 14(4)2579 EC Number: 214-554-8

GRADE & PURITY ≥97%

Synonyms

Benzoic acid, 2-(2-aminobenzoyl)- | 2-(aminobenzoyl)benzoic acid | MFCD00007715 | SY051716 | A803223 | KORKIRUGUNPQML-UHFFFAOYSA- | Y14606 | SCHEMBL2028031 | EINECS 214-554-8 | FT-0633403 | HMS1543N01 | 2-Aminobenzophenone-2(2)-carboxylic acid | MFCD00005

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Benzoic acid, 2-(2-aminobenzoyl)- | 2-(aminobenzoyl)benzoic acid | MFCD00007715 | SY051716 | A803223 | KORKIRUGUNPQML-UHFFFAOYSA- | Y14606 | SCHEMBL2028031 | EINECS 214-554-8 | FT-0633403 | HMS1543N01 | 2-Aminobenzophenone-2(2)-carboxylic acid | MFCD00005

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488184609
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184609
• Canonical Smiles: C1=CC=C(C(=C1)C(=O)C2=CC=CC=C2N)C(=O)O
• IUPAC Name: 2-(2-aminobenzoyl)benzoic acid
• InChIKey: KORKIRUGUNPQML-UHFFFAOYSA-N
• INCHI: 1S/C14H11NO3/c15-12-8-4-3-7-11(12)13(16)9-5-1-2-6-10(9)14(17)18/h1-8H,15H2,(H,17,18)
• Isomeric SMILES: C1=CC=C(C(=C1)C(=O)C2=CC=CC=C2N)C(=O)O
• WGK Germany: 3
• Molecular Weight: 241.25
• Beilstein: 14(4)2579
• Reaxy-Rn: 2696392
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2696392&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Benzoic acids Benzoyl derivatives Aniline and substituted anilines Vinylogous amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Aniline or substituted anilines - Aryl ketone - Vinylogous amide - Amino acid or derivatives - Amino acid - Ketone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Sensitivity: light sensitive
• Melt Point(°C): 199°C(lit.)
• Molecular Weight: 241.240 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 241.074 Da
• Monoisotopic Mass: 241.074 Da
• Topological Polar Surface Area: 80.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 329.000
• 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