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2-Acetoxy-4'-cyanobenzophenone - ≥95% , CAS No.890099-34-0

2-Acetoxy-4'-cyanobenzophenone - ≥95% , CAS No.890099-34-0

Name: 2-Acetoxy-4'-cyanobenzophenone - ≥95% , CAS No.890099-34-0
SKU: A1231920
Availability: InStock

CAS: 890099-34-0 Cat. No.: A1231920 Formule: C₁₆H₁₁NO₃ Poids moléculaire: 265.268 PubChem CID: 24722878

COA

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DISPONIBLE À COMMANDE

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications Noms et identifiants Documentation Advanced Data Taxonomic Classification Structure 3D Certificats (CoA, COO, BSE/TSE et tableau d'analyse) Propriétés chimiques et physiques Calculateurs de solution Avis

🧪

Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

Sourires canoniques

CC(=O)OC1=CC=CC=C1C(=O)C2=CC=C(C=C2)C#N

IUPAC Name

[2-(4-cyanobenzoyl)phenyl] acetate

InChIKey

LPPXBZLLAJWTOV-UHFFFAOYSA-N

INCHI

1S/C16H11NO3/c1-11(18)20-15-5-3-2-4-14(15)16(19)13-8-6-12(10-17)7-9-13/h2-9H,1H3

Isomères SMILES

CC(=O)OC1=CC=CC=C1C(=O)C2=CC=C(C=C2)C#N

PubChem CID

24722878

Poids moléculaire

265.268

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

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 Phenol esters Phenoxy compounds Benzoyl derivatives Benzonitriles Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzophenone - Aryl-phenylketone - Diphenylmethane - Phenol ester - Benzonitrile - Phenoxy compound - Benzoyl - Aryl ketone - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organonitrogen 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
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

Structure 3D

Certificats (CoA, COO, BSE/TSE et tableau d'analyse)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Propriétés chimiques et physiques

Poids moléculaire	265.260 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	265.074 Da
Monoisotopic Mass	265.074 Da
Topological Polar Surface Area	67.200 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	415.000
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

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