2-Isonitrosoacetophenone - ≥95%(HPLC) , CAS No.532-54-7

CAS: 532-54-7 Cat. No.: W136367 Summenformel: C₆H₅COCH=NOH Molekulargewicht: 149.15 Beilstein Registry Number: 2041691 EG-Nummer: 208-539-5 PubChem CID: 9566037

GRADE & PURITY ≥95%(HPLC)

Synonyms

.ALPHA.-(HYDROXYIMINO)ACETOPHENONE | 2-Isonitrosoacetophenone | A829477 | AO023ZB1BP | ISONITROSOACETOPHENONE [MI] | 2-Isonitrosoacetophenone, 97% | AKOS015888584 | NSC 1330 | Phenylglyoxal aldoxime | mu-(Hydroxyimino)acetophenone | Benzeneacetaldehyde, a

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

.ALPHA.-(HYDROXYIMINO)ACETOPHENONE | 2-Isonitrosoacetophenone | A829477 | AO023ZB1BP | ISONITROSOACETOPHENONE [MI] | 2-Isonitrosoacetophenone, 97% | AKOS015888584 | NSC 1330 | Phenylglyoxal aldoxime | mu-(Hydroxyimino)acetophenone | Benzeneacetaldehyde, a

Spezifikationen & Reinheit

≥95%(HPLC)

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

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

Reinheit

≥95%(HPLC)

Namen und Kennungen

• Pubchem Sid: 508808070
• Kanonisches Lächeln: C1=CC=C(C=C1)C(=O)C=NO
• IUPAC Name: (2E)-2-hydroxyimino-1-phenylethanone
• InChIKey: MLNKXLRYCLKJSS-RMKNXTFCSA-N
• INCHI: 1S/C8H7NO2/c10-8(6-9-11)7-4-2-1-3-5-7/h1-6,11H/b9-6+
• Isomere SMILES: C1=CC=C(C=C1)C(=O)/C=N/O
• WGK Deutschland: 3
• RTECS: MD3325000
• PubChem CID: 9566037
• Molekulargewicht: 149.15
• Beilstein: 2041691

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Aryl ketones Aldoximes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aryl ketone - Benzoyl - Aldoxime - Ketone - Oxime - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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: Slightly soluble in water; Soluble in Methanol,Chloroform
• Schmelzpunkt (°C): 128 °C
• Molekulargewicht: 149.150 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 149.048 Da
• Monoisotopic Mass: 149.048 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 159.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1