4-Chloro-3-nitrobenzophenone - ≥99% , CAS No.56107-02-9

CAS: 56107-02-9 Cat. No.: C134494 Summenformel: C₁₃H₈ClNO₃ Molekulargewicht: 261.66 EG-Nummer: 259-995-7

GRADE & PURITY ≥99%

Synonyms

4-Chloro-3-nitrobenzophenone | BENZOPHENONE, 4-CHLORO-3-NITRO- | AKOS000120543 | 3-nitro-4-chlorobenzophenone | 3-nitro-4-chloro-benzophenone | 3Nitro-4-chloro-benzophenone | C2906 | UNII-9ZX6URA78L | NSC 102519 | NSC102519 | NSC-102519 | AC-20390 | (4-Ch

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

4-Chloro-3-nitrobenzophenone | BENZOPHENONE, 4-CHLORO-3-NITRO- | AKOS000120543 | 3-nitro-4-chlorobenzophenone | 3-nitro-4-chloro-benzophenone | 3Nitro-4-chloro-benzophenone | C2906 | UNII-9ZX6URA78L | NSC 102519 | NSC102519 | NSC-102519 | AC-20390 | (4-Ch

Spezifikationen & Reinheit

≥99%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

• Pubchem Sid: 488183331
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183331
• Kanonisches Lächeln: C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]
• IUPAC Name: (4-chloro-3-nitrophenyl)-phenylmethanone
• InChIKey: YBDBYPQFIMSFJW-UHFFFAOYSA-N
• INCHI: 1S/C13H8ClNO3/c14-11-7-6-10(8-12(11)15(17)18)13(16)9-4-2-1-3-5-9/h1-8H
• Isomere SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]
• RTECS: DJ0425000
• Molekulargewicht: 261.66
• Reaxy-Rn: 2587417
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2587417&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Nitrobenzenes Nitroaromatic compounds Benzoyl derivatives Chlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Nitrobenzene - Nitroaromatic compound - Aryl ketone - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Organic nitro compound - C-nitro compound - Ketone - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 235 °C/13 mmHg
• Schmelzpunkt (°C): 106 °C
• Molekulargewicht: 261.660 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 261.019 Da
• Monoisotopic Mass: 261.019 Da
• Topological Polar Surface Area: 62.900 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 323.000
• 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?

This product is supplied at ≥99% 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 56107-02-9, the molecular formula is C13H8ClNO3, and the molecular weight is 261.66 g/mol. InChIKey YBDBYPQFIMSFJW-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.