4-Allyl-benzonitrile , CAS No.51980-05-3

CAS: 51980-05-3 Cat. No.: A1050455 Fórmula: C10H9N Peso molecular: 143.189 Número CE: 111-191-6 PubChem CID: 9855503
Disponível para encomenda
Storage
Room temperature
★
Size
Alemanha (EU)
USA*
Price
Qty
1g
A1050455-1g
Sob encomenda · 8–12 semanas
486,71€
2g
A1050455-2g
Sob encomenda · 8–12 semanas
714,06€
5g
A1050455-5g
Sob encomenda · 8–12 semanas
1619,11€
Enter a quantity for the sizes you want to add.
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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 canónicosC=CCC1=CC=C(C=C1)C#N
IUPAC Name4-prop-2-enylbenzonitrile
InChIKeyULDJSHVPTSCBDW-UHFFFAOYSA-N
INCHI1S/C10H9N/c1-2-3-9-4-6-10(8-11)7-5-9/h2,4-7H,1,3H2
SMILES isoméricas C=CCC1=CC=C(C=C1)C#N
PubChem CID 9855503
Peso molecular 143.189

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

KingdomOrganic compounds
SuperclassBenzenoids
ClasseBenzene and substituted derivatives
SubclassBenzonitriles
Intermediate Tree Nodes Not available
Direct ParentBenzonitriles
Alternative Parents Nitriles  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Benzonitrile - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
Peso molecular143.180 g/mol
XLogP32.700
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass143.073 Da
Monoisotopic Mass143.073 Da
Topological Polar Surface Area23.800 Ų
Heavy Atom Count11
Formal Charge0
Complexity167.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluções
Revisões

Avaliações dos Clientes

Perguntas frequentes

How should this product be stored?
Store at room temperature.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 51980-05-3, the molecular formula is C10H9N, and the molecular weight is 143.189 g/mol. InChIKey ULDJSHVPTSCBDW-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.

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