4-Cyano-1-cyclohexene - ≥95%(GC) , CAS No.100-45-8

CAS: 100-45-8 Cat. No.: C137925 Formula: C7H9N Peso molecolare: 107.16 Numero EC: 623-115-3
Disponibile su ordine
GRADE & PURITY ≥95%(GC)
Synonyms
AS-47878 | 4-Cyano-1-cyclohexene | 4-Cyanocyclohexene-1 | Tetrahydrobenzonitrile | D65GN9AVCH | UNII-D65GN9AVCH | cyclohex-3-enecarbonitrile | 3-Cyclohexenyl cyanide | 1,2,3,6-Tetrahydrobenzonitrile | FT-0618302 | NSC 7407 | (+/-)-3-CYCLOHEXENE-1-CARBONIT
Storage
Room temperature
Shipped In
Normal
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Size
Germania (EU)
USA*
Price
Qty
1ml
C137925-1ml
—
5 Disponibile
50,24€
5ml
C137925-5ml
—
5 Disponibile
110,98€
25ml
C137925-25ml
—
3 Disponibile
338,33€
Enter a quantity for the sizes you want to add.
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Why this grade

≥95%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal 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.

Specifications

Sinonimi
AS-47878 | 4-Cyano-1-cyclohexene | 4-Cyanocyclohexene-1 | Tetrahydrobenzonitrile | D65GN9AVCH | UNII-D65GN9AVCH | cyclohex-3-enecarbonitrile | 3-Cyclohexenyl cyanide | 1,2,3,6-Tetrahydrobenzonitrile | FT-0618302 | NSC 7407 | (+/-)-3-CYCLOHEXENE-1-CARBONIT
Specifiche e purezza
≥95%(GC)
Condizioni di conservazione di stoccaggio
Room temperature
Spedito in
Normal
Purezza
≥95%(GC)
Nomi e identificatori
Pubchem Sid488183702
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488183702
Sorrisi canoniciC1CC(CC=C1)C#N
IUPAC Namecyclohex-3-ene-1-carbonitrile
InChIKeyGYBNBQFUPDFFQX-UHFFFAOYSA-N
INCHI1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-2,7H,3-5H2
Isomeri SMILES C1CC(CC=C1)C#N
RTECS GW2625000
Peso molecolare 107.16
Reaxy-Rn 636074
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636074&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
SuperclassOrganic nitrogen compounds
ClasseOrganonitrogen compounds
SubclassOrganic cyanides
Intermediate Tree Nodes Not available
Direct ParentNitriles
Alternative Parents Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAliphatic homomonocyclic compounds
Substituents Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic homomonocyclic compound
DescrizioneThis compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.
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.

4 results found

Lot NumberCertificate TypeDataOggetto
C23101026Certificate of AnalysisSep 21, 2026 C137925
C23101068Certificate of AnalysisSep 21, 2026 C137925
C2310977Certificate of AnalysisSep 21, 2026 C137925
G2411118Certificate of AnalysisApr 28, 2024 C137925
Proprietà chimiche e fisiche
SolubilitàInsoluble in water; Soluble in Methanol
Indice di rifrazione1.47
Punto di infiammabilità (°C)66°C(lit.)
Punto di ebollizione (°C)60°C/5.3mmHg
Peso molecolare107.150 g/mol
XLogP31.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass107.073 Da
Monoisotopic Mass107.073 Da
Topological Polar Surface Area23.800 Ų
Heavy Atom Count8
Formal Charge0
Complexity138.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calcolatori di soluzioni
Recensioni

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