2'-Chloroacetoacetanilide - ≥98%(HPLC)(N) , CAS No.93-70-9

CAS: 93-70-9 Cat. No.: C154062 Summenformel: C₁₀H₁₀ClNO₂ Molekulargewicht: 211.65 EG-Nummer: 202-269-1

GRADE & PURITY ≥98%(HPLC)(N)

Synonyms

12G-917 | DivK1c_001225 | N-(2-Chlorophenyl)-3-oxobutyramide | N-(2-Chlorophenyl)-3-oxo-butyramide | Q27895410 | Acetoacet-o-chloroanilide | AI3-01927 | HMS548I09 | BFVHBHKMLIBQNN-UHFFFAOYSA- | BRN 2212748 | W-100230 | Maybridge1_002473 | N~1~-(2-CHLOROPH

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyme

12G-917 | DivK1c_001225 | N-(2-Chlorophenyl)-3-oxobutyramide | N-(2-Chlorophenyl)-3-oxo-butyramide | Q27895410 | Acetoacet-o-chloroanilide | AI3-01927 | HMS548I09 | BFVHBHKMLIBQNN-UHFFFAOYSA- | BRN 2212748 | W-100230 | Maybridge1_002473 | N~1~-(2-CHLOROPH

Spezifikationen & Reinheit

≥98%(HPLC)(N)

Storage

Room temperature

Verschickt in

FedEx DG Service

Reinheit

≥98%(HPLC)(N)

Namen und Kennungen

• Pubchem Sid: 504751261
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751261
• Kanonisches Lächeln: CC(=O)CC(=O)NC1=CC=CC=C1Cl
• IUPAC Name: N-(2-chlorophenyl)-3-oxobutanamide
• InChIKey: BFVHBHKMLIBQNN-UHFFFAOYSA-N
• INCHI: 1S/C10H10ClNO2/c1-7(13)6-10(14)12-9-5-3-2-4-8(9)11/h2-5H,6H2,1H3,(H,12,14)
• Isomere SMILES: CC(=O)CC(=O)NC1=CC=CC=C1Cl
• RTECS: AK4300000
• Molekulargewicht: 211.65
• Reaxy-Rn: 2212748
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2212748&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: N-arylamides Chlorobenzenes Fatty amides Aryl chlorides 1,3-dicarbonyl compounds Secondary carboxylic acid amides Ketones Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anilide - N-arylamide - Chlorobenzene - Halobenzene - Aryl halide - Fatty acyl - 1,3-dicarbonyl compound - Fatty amide - Aryl chloride - Carboxamide group - Secondary carboxylic acid amide - Ketone - Carboxylic acid derivative - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• 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

• Schmelzpunkt (°C): 107 °C
• Molekulargewicht: 211.640 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 211.04 Da
• Monoisotopic Mass: 211.04 Da
• Topological Polar Surface Area: 46.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 230.000
• 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, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. 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 is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 93-70-9, the molecular formula is C10H10ClNO2, and the molecular weight is 211.65 g/mol. InChIKey BFVHBHKMLIBQNN-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.