4-Cyanophenylacetonitrile - ≥97% , CAS No.876-31-3

CAS: 876-31-3 Cat. No.: C124217 Formula: C9H6N2 Peso molecolare: 142.16 Numero EC: 627-803-4
Disponibile su ordine
GRADE & PURITY ≥97%
Synonyms
JJ55PFL4NS | 4-(cyanomethyl) benzonitrile | SCHEMBL249189 | pentane blend | 4-(Cyanomethyl)benzonitrile # | AKOS000157345 | D78185 | EN300-1843175 | UNII-JJ55PFL4NS | p-Tolunitrile, alpha-cyano- | .alpha.,4-Dicyanotoluene | ? 4-Cyanophenylacetonitrile | 4
Storage
Room temperature
Shipped In
Normal
★
Size
Germania (EU)
USA*
Price
Qty
1g
C124217-1g
—
2 Disponibile

8,59€

12,93€
Salva 4,34 € (33.56%)
5g
C124217-5g
—
8 Disponibile

12,93€

19,87€
Salva 6,94 € (34.93%)
25g
C124217-25g
—
7 Disponibile

45,04€

67,60€
Salva 22,56 € (33.38%)
100g
C124217-100g
1 Disponibile
1 Disponibile

137,02€

205,57€
Salva 68,55 € (33.35%)
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 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinonimi
JJ55PFL4NS | 4-(cyanomethyl) benzonitrile | SCHEMBL249189 | pentane blend | 4-(Cyanomethyl)benzonitrile # | AKOS000157345 | D78185 | EN300-1843175 | UNII-JJ55PFL4NS | p-Tolunitrile, alpha-cyano- | .alpha.,4-Dicyanotoluene | ? 4-Cyanophenylacetonitrile | 4
Specifiche e purezza
≥97%
Condizioni di conservazione di stoccaggio
Room temperature
Spedito in
Normal
Purezza
≥97%
Nomi e identificatori
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488187897
Sorrisi canonici
C1=CC(=CC=C1CC#N)C#N
IUPAC Name
4-(cyanomethyl)benzonitrile
InChIKey
QILKKAFYAFEWGU-UHFFFAOYSA-N
INCHI
1S/C9H6N2/c10-6-5-8-1-3-9(7-11)4-2-8/h1-4H,5H2
Isomeri SMILES
C1=CC(=CC=C1CC#N)C#N
WGK Germania
3
Peso molecolare
142.16
Reaxy-Rn
1908164
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1908164&ln=

Documentazione

📋 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
SubclassBenzyl cyanides
Intermediate Tree Nodes Not available
Direct ParentBenzyl cyanides
Alternative Parents Benzonitriles  Nitriles  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Benzyl-cyanide - Benzonitrile - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
DescrizioneThis compound belongs to the class of organic compounds known as benzyl cyanides. These are organic compounds containing an acetonitrile with one hydrogen replaced by a phenyl group.
External Descriptors Not available
Struttura 3D
Modello di struttura chimica interattiva





Certificati (CoA, COO, BSE/TSE e tabella di analisi)
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.

18 results found

Lot NumberCertificate TypeDataOggetto
D1409045Certificate of AnalysisNov 10, 2025 C124217
K2120368Certificate of AnalysisSep 04, 2025 C124217
A2419262Certificate of AnalysisNov 23, 2023 C124217
A2419264Certificate of AnalysisNov 23, 2023 C124217
A2419263Certificate of AnalysisNov 23, 2023 C124217
A2419261Certificate of AnalysisNov 23, 2023 C124217
H2314079Certificate of AnalysisMay 13, 2023 C124217
H2314082Certificate of AnalysisMay 13, 2023 C124217
H2314085Certificate of AnalysisMay 13, 2023 C124217
H2314086Certificate of AnalysisMay 13, 2023 C124217
H2314088Certificate of AnalysisMay 13, 2023 C124217
H2314089Certificate of AnalysisMay 13, 2023 C124217
H2314092Certificate of AnalysisMay 13, 2023 C124217
H2314097Certificate of AnalysisMay 13, 2023 C124217
H1419067Certificate of AnalysisJun 16, 2022 C124217
C2329095Certificate of AnalysisSep 02, 2021 C124217
C2329097Certificate of AnalysisSep 02, 2021 C124217
D2315330Certificate of AnalysisSep 02, 2021 C124217
Proprietà chimiche e fisiche
SensibilitàMoisture sensitive
Indice di rifrazione1.499
Punto di ebollizione (°C)180-181℃
Punto di fusione (°C)102°C
Peso molecolare142.160 g/mol
XLogP31.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass142.053 Da
Monoisotopic Mass142.053 Da
Topological Polar Surface Area47.600 Ų
Heavy Atom Count11
Formal Charge0
Complexity206.000
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
Citations of This Product
Calcolatori di soluzioni
Recensioni

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