3-(4-Cyanophenyl)propionic acid - ≥97% , CAS No.42287-94-5

CAS: 42287-94-5 Cat. No.: C138827 Fórmula: C10H9NO2 Peso molecular: 175.18 Número CE: 688-039-5
Disponível para encomenda
GRADE & PURITY ≥97%
Synonyms
F9995-1104 | A825838 | DS-13665 | 3-(4-cyanophenyl)propionic acid | 3-(4-cyano-phenyl)propionic Acid | 3-(4-Cyano-phenyl)-propionic acid | 3-(4-cyanophenyl)-propionic acid | AB01329844-02 | STL302069 | EN300-24305 | Benzenethiol, 2-amino-4-(trifluoromethy
Storage
Room temperature,Argon charged
Shipped In
Normal
★
Size
Alemanha (EU)
USA*
Price
Qty
1g
C138827-1g
Sob encomenda · 8–12 semanas
8,59€
5g
C138827-5g
—
3 Em stock
20,74€
25g
C138827-25g
—
2 Em stock
78,01€
100g
C138827-100g
—
1 Em stock
260,23€
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature,Argon charged 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

Sinónimos
F9995-1104 | A825838 | DS-13665 | 3-(4-cyanophenyl)propionic acid | 3-(4-cyano-phenyl)propionic Acid | 3-(4-Cyano-phenyl)-propionic acid | 3-(4-cyanophenyl)-propionic acid | AB01329844-02 | STL302069 | EN300-24305 | Benzenethiol, 2-amino-4-(trifluoromethy
Especificações e pureza
≥97%
Condições de armazenamento de armazenamento
Room temperature,Argon charged
Enviado em
Normal
Pureza
≥97%
Nomes e identificadores
Pubchem Sid528758162
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/528758162
Sorrisos canónicosC1=CC(=CC=C1CCC(=O)O)C#N
IUPAC Name3-(4-cyanophenyl)propanoic acid
InChIKeyRHIGOXBTMPLABF-UHFFFAOYSA-N
INCHI1S/C10H9NO2/c11-7-9-3-1-8(2-4-9)5-6-10(12)13/h1-4H,5-6H2,(H,12,13)
SMILES isoméricas C1=CC(=CC=C1CCC(=O)O)C#N
Peso molecular 175.18
Reaxy-Rn 2366880
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2366880&ln=

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
SuperclassPhenylpropanoids and polyketides
ClassePhenylpropanoic acids
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentPhenylpropanoic acids
Alternative Parents Benzonitriles  Nitriles  Monocarboxylic acids and derivatives  Carboxylic acids  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents 3-phenylpropanoic-acid - Benzonitrile - Monocyclic benzene moiety - Benzenoid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
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:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot NumberCertificate TypeDataItem
K2510263Certificate of AnalysisSep 09, 2025 C138827
K2510267Certificate of AnalysisSep 09, 2025 C138827
K2510268Certificate of AnalysisSep 09, 2025 C138827
K2510272Certificate of AnalysisSep 09, 2025 C138827
Propriedades químicas e físicas
SensibilidadeAir & Heat & Moisture sensitive
Ponto de fusão (°C)138-143 °C
Peso molecular175.180 g/mol
XLogP31.200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass175.063 Da
Monoisotopic Mass175.063 Da
Topological Polar Surface Area61.100 Ų
Heavy Atom Count13
Formal Charge0
Complexity220.000
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

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