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2-Cyano-3'-iodobenzophenone , CAS No.890098-77-8

2-Cyano-3'-iodobenzophenone , CAS No.890098-77-8

Name: 2-Cyano-3'-iodobenzophenone , CAS No.890098-77-8
SKU: C982330
Availability: InStock

CAS: 890098-77-8 Cat. No.: C982330 Fórmula: C₁₄H₈INO Peso molecular: 333.128 PubChem CID: 24722853

COA

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2-Cyano-3'-iodobenzophenone - CAS No(890098-77-8) by Aladdin Scientific

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Disponível para encomenda

Storage

Room temperature

Specifications Nomes e identificadores Documentation Advanced Data Taxonomic Classification Estrutura 3D Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas Calculadoras de soluções Revisões

🧪

Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships 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

Condições de armazenamento de armazenamento

Room temperature

Nomes e identificadores

Sorrisos canónicos

C1=CC=C(C(=C1)C#N)C(=O)C2=CC(=CC=C2)I

IUPAC Name

2-(3-iodobenzoyl)benzonitrile

InChIKey

YAMSOGVCQNPOEI-UHFFFAOYSA-N

INCHI

1S/C14H8INO/c15-12-6-3-5-10(8-12)14(17)13-7-2-1-4-11(13)9-16/h1-8H

SMILES isoméricas

C1=CC=C(C(=C1)C#N)C(=O)C2=CC(=CC=C2)I

PubChem CID

24722853

Peso molecular

333.128

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 Benzoyl derivatives Benzonitriles Iodobenzenes Aryl iodides Nitriles Organopnictogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzophenone - Diphenylmethane - Aryl-phenylketone - Benzonitrile - Benzoyl - Aryl ketone - Halobenzene - Iodobenzene - Aryl iodide - Aryl halide - Ketone - Nitrile - Carbonitrile - Organic oxide - Organohalogen compound - Organoiodide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic homomonocyclic compound
Descrição	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

Estrutura 3D

Certificados（CoA,COO,BSE/TSE e Mapa de Análise)

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

Analytical Chart:

Propriedades químicas e físicas

Peso molecular	333.120 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	332.965 Da
Monoisotopic Mass	332.965 Da
Topological Polar Surface Area	40.900 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	332.000
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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Revisões

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