Pyruvonitrile - ≥90% , CAS No.631-57-2

CAS: 631-57-2 Cat. No.: P466890 Formule: CH3COCN Poids moléculaire: 69.06 Numéro CE: 211-159-2 PubChem CID: 69430
DISPONIBLE À COMMANDE
GRADE & PURITY ≥90%
Synonyms
Pyruvonitrile, technical, >=90% (GC) | Pyruvonitrile, tech. 90% | AKOS015900162 | MFCD00001838 | 2-Oxopropionitrile | NSC91482 | NSC-91482 | InChI=1/C3H3NO/c1-3(5)2-4/h1H | Oxopropionitrile | Acetyl cyanide | EN300-95845 | N12035 | ACCN | Propanenitrile,
Storage
Store at 2-8°C
Shipped In
Wet ice
Size
Allemagne (EU)
USA*
Price
Qty
1g
P466890-1g
2 En stock
21,61€
5g
P466890-5g
5 En stock
86,69€
25g
P466890-25g
2 En stock
312,30€
Enter a quantity for the sizes you want to add.
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Why this grade

≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.

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Quality documents

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

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Literature proof

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

Vue d’ensemble

Description

The infrared spectra of pyruvonitrile was studied.may contain ca. 5% mesitylenePyruvonitrile was used in the synthesis of cuprate-carbonyl π-complexes by reaction with Me2CuLi in THF.

Specifications

Synonymes
Pyruvonitrile, technical, >=90% (GC) | Pyruvonitrile, tech. 90% | AKOS015900162 | MFCD00001838 | 2-Oxopropionitrile | NSC91482 | NSC-91482 | InChI=1/C3H3NO/c1-3(5)2-4/h1H | Oxopropionitrile | Acetyl cyanide | EN300-95845 | N12035 | ACCN | Propanenitrile,
Spécifications et pureté
≥90%
Conditions de stockage de stockage
Store at 2-8°C
Expédié en
Wet ice
Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.
Pureté
≥90%
Noms et identifiants
Pubchem Sid504754389
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504754389
Sourires canoniquesCC(=O)C#N
IUPAC Nameacetyl cyanide
InChIKeyQLDHWVVRQCGZLE-UHFFFAOYSA-N
INCHI1S/C3H3NO/c1-3(5)2-4/h1H3
Isomères SMILES CC(=O)C#N
PubChem CID 69430
Poids moléculaire 69.06

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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClasseOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Not available
Direct ParentKetones
Alternative Parents Acyl cyanides  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Ketone - Nitrile - Carbonitrile - Acyl cyanide - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol.
External Descriptors Not available
Structure 3D
Modèle de structure chimique interactif





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

9 results found

Lot NumberCertificate TypeDateArticle
C2631109Certificate of AnalysisApr 14, 2026 P466890
F2306204Certificate of AnalysisMar 13, 2026 P466890
F2306206Certificate of AnalysisMar 13, 2026 P466890
F2306207Certificate of AnalysisMar 13, 2026 P466890
F2306209Certificate of AnalysisMar 13, 2026 P466890
F2306210Certificate of AnalysisMar 13, 2026 P466890
B2627050Certificate of AnalysisApr 23, 2023 P466890
F2306208Certificate of AnalysisApr 23, 2023 P466890
H2515081Certificate of AnalysisApr 23, 2023 P466890
Propriétés chimiques et physiques
Point d'ébullition (°C)92-93° C (lit.)
Poids moléculaire69.060 g/mol
XLogP3-0.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass69.0215 Da
Monoisotopic Mass69.0215 Da
Topological Polar Surface Area40.900 Ų
Heavy Atom Count5
Formal Charge0
Complexity86.300
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
Calculateurs de solution
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