4-Nitrobenzophenone - ≥99% , CAS No.1144-74-7

CAS: 1144-74-7 Cat. No.: N101908 Formule: C₁₃H₉NO₃ Poids moléculaire: 227.22 Beilstein Registry Number: 1912753 Numéro CE: 214-542-2

QUALITÉ & PURETÉ ≥99%

Synonyms

p-Nitrobenzophenone | DTXSID7061564 | 4-Nitrophenyl phenyl ketone | W-108600 | Methanone, (4-nitrophenyl)phenyl- | FT-0619213 | NSC 406623 | (4-Nitrophenyl)(phenyl)methanone # | EINECS 214-542-2 | AKOS000269679 | 4-Nitrobenzophenone | 4-nitro-benzophenone

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

p-Nitrobenzophenone | DTXSID7061564 | 4-Nitrophenyl phenyl ketone | W-108600 | Methanone, (4-nitrophenyl)phenyl- | FT-0619213 | NSC 406623 | (4-Nitrophenyl)(phenyl)methanone # | EINECS 214-542-2 | AKOS000269679 | 4-Nitrobenzophenone | 4-nitro-benzophenone

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥99%

Noms et identifiants

Pubchem Sid

488184607

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184607

Sourires canoniques

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

IUPAC Name

(4-nitrophenyl)-phenylmethanone

InChIKey

ZYMCBJWUWHHVRX-UHFFFAOYSA-N

INCHI

1S/C13H9NO3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9H

Isomères SMILES

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

WGK Allemagne

3

Poids moléculaire

227.22

Beilstein

1912753

Reaxy-Rn

1912753

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1912753&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Propriétés chimiques et physiques

• Point de fusion (°C): 136-138°C
• Poids moléculaire: 227.210 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 227.058 Da
• Monoisotopic Mass: 227.058 Da
• Topological Polar Surface Area: 62.900 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 284.000
• 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

Foire aux questions

How should this product be stored?

Store at room temperature.

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 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 1144-74-7, the molecular formula is C13H9NO3, and the molecular weight is 227.22 g/mol. InChIKey ZYMCBJWUWHHVRX-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.