2-Chloro-5-nitrobenzophenone - ≥98% , CAS No.34052-37-4

CAS: 34052-37-4 Cat. No.: C101520 Summenformel: C₁₃H₈ClNO₃ Molekulargewicht: 261.66 Beilstein Registry Number: 7(4)1383 EG-Nummer: 251-811-3

GRADE & PURITY ≥98%

Synonyms

MFCD00007295 | D89456 | W-106752 | AS-11957 | AKOS015903927 | FT-0611833 | AE-562/43460094 | 5-Nitro-2-chlorobenzophenone | InChI=1/C13H8ClNO3/c14-12-7-6-10(15(17)18)8-11(12)13(16)9-4-2-1-3-5-9/h1-8H | 2-Chloro-5-nitrobenzophenone | 2-chloro-5-nitro-benzo

Storage

Room temperature

Shipped In

Normal

Übersicht

Application

2-Chloro-5-nitrobenzophenone was used in the synthesis of sulfone-activated difluoro monomers with benzoyl substituents: bis(2-benzoyl-4-fluorophenyl) sulfone and 2-benzoyl-4,4′-difluorophenyl sulfone.It was used in derivatization of phenols during the synthesis of 13C- and 14C-uniformly labeled catechol.

Specifications

Synonyme

MFCD00007295 | D89456 | W-106752 | AS-11957 | AKOS015903927 | FT-0611833 | AE-562/43460094 | 5-Nitro-2-chlorobenzophenone | InChI=1/C13H8ClNO3/c14-12-7-6-10(15(17)18)8-11(12)13(16)9-4-2-1-3-5-9/h1-8H | 2-Chloro-5-nitrobenzophenone | 2-chloro-5-nitro-benzo

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488187582
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187582
• Kanonisches Lächeln: C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl
• IUPAC Name: (2-chloro-5-nitrophenyl)-phenylmethanone
• InChIKey: HRPHZUAPQWJPCZ-UHFFFAOYSA-N
• INCHI: 1S/C13H8ClNO3/c14-12-7-6-10(15(17)18)8-11(12)13(16)9-4-2-1-3-5-9/h1-8H
• Isomere SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl
• WGK Deutschland: 3
• UN-Nummer: 3077
• Molekulargewicht: 261.66
• Beilstein: 7(4)1383
• Reaxy-Rn: 2126356
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2126356&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 Vinylogous halides 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 - Aryl-phenylketone - Diphenylmethane - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Organic nitro compound - Ketone - C-nitro compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol
• Schmelzpunkt (°C): 85°C
• Molekulargewicht: 261.660 g/mol
• XLogP3: 3.700
• 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 ≥98% 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 34052-37-4, the molecular formula is C13H8ClNO3, and the molecular weight is 261.66 g/mol. InChIKey HRPHZUAPQWJPCZ-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.