Butyl cyanide - Standard for GC, ≥99.5%(GC) , CAS No.110-59-8

CAS: 110-59-8 Cat. No.: B100431 Formula: C5H9N Molecular Weight: 83.13 Beilstein Registry Number: 1736706 EC Number: 203-781-8
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GRADE & PURITY Standard for GC ? GC reference standard — characterized compound for calibrating GC methods. Use to build calibration curves and verify GC quantitation. ≥99.5%(GC)
Synonyms
A802223 | NCGC00091673-02 | Pentanenitrile | BRN 1736706 | J-002452 | 1-Cyanobutane | 1-cyano-butane | AKOS000200376 | FT-0631617 | CH3(CH2)3CN | Valeronitrile
Storage
Room temperature
Shipped In
FedEx DG Service
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Size
USA
Germany (EU)*
Price
Qty
5ml
B100431-5ml
2 In stock
—
$17.90
25ml
B100431-25ml
1 In stock
—
$68.90
50ml
B100431-50ml
1 In stock
—
$110.90
Enter a quantity for the sizes you want to add.
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Why this grade

Standard for GC, ≥99.5%(GC) Standard for GC for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships FedEx DG Service 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 9 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
A802223 | NCGC00091673-02 | Pentanenitrile | BRN 1736706 | J-002452 | 1-Cyanobutane | 1-cyano-butane | AKOS000200376 | FT-0631617 | CH3(CH2)3CN | Valeronitrile
Specifications & Purity
Standard for GC, ≥99.5%(GC)
Storage
Room temperature
Shipped In
FedEx DG Service
Grade
Standard for GC
Purity
≥99.5%(GC)
Names and Identifiers
Pubchem Sid
Canonical Smiles
CCCCC#N
IUPAC Name
pentanenitrile
InChIKey
RFFFKMOABOFIDF-UHFFFAOYSA-N
INCHI
1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3
Isomeric SMILES
CCCCC#N
WGK Germany
3
RTECS
YV8195000
UN Number
3273
Packing Group
I
Molecular Weight
83.13
Beilstein
1736706
Reaxy-Rn
1736706
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1736706&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
SuperclassOrganic nitrogen compounds
ClassOrganonitrogen compounds
SubclassOrganic cyanides
Intermediate Tree Nodes Not available
Direct ParentNitriles
Alternative Parents Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
DescriptionThis 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 a small molecule
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
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.

11 results found

Lot NumberCertificate TypeDateItem
E2521181Certificate of AnalysisApr 23, 2025 B100431
E2521182Certificate of AnalysisApr 23, 2025 B100431
E2521183Certificate of AnalysisApr 23, 2025 B100431
F2418308Certificate of AnalysisJun 06, 2024 B100431
F2418309Certificate of AnalysisJun 06, 2024 B100431
F2418310Certificate of AnalysisJun 06, 2024 B100431
F2418311Certificate of AnalysisJun 06, 2024 B100431
F2418312Certificate of AnalysisJun 06, 2024 B100431
F2418313Certificate of AnalysisJun 06, 2024 B100431
B2006181Certificate of AnalysisSep 11, 2023 B100431
F2224095Certificate of AnalysisJun 09, 2022 B100431
Chemical and Physical Properties
SolubilityInsoluble in water, soluble in alcohol and ether.
Refractive Index1.3973
Flash Point(°F)100.4 °F
Flash Point(°C)38℃
Boil Point(°C)141.3°C
Melt Point(°C)-96.2°C
Molecular Weight83.130 g/mol
XLogP31.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass83.0735 Da
Monoisotopic Mass83.0735 Da
Topological Polar Surface Area23.800 Ų
Heavy Atom Count6
Formal Charge0
Complexity57.600
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
Documents & Articles
Citations of This Product
Solution Calculators
Reviews

Customer Reviews

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