Suberonitrile - ≥99% , CAS No.629-40-3

CAS: 629-40-3 Cat. No.: S101377 Peso molecular: 136.19 Beilstein Registry Number: 1744365 Número EC: 211-089-2 PubChem CID: 12385
Disponible para pedir
GRADE & PURITY ≥99%
Synonyms
3-04-00-00602 (Beilstein Handbook Reference) | Octanedinitrile | 1,6-Dicyanohexane | 1,6-dicyano-hexane | EN300-88679 | NSC 51242 | EINECS 211-089-2 | EINECS 213-202-0 | SCHEMBL411130 | AKOS015839904 | S0298 | Korksaeuredinitril [German] | UNII-JNT1LXA02U
Storage
Room temperature
Shipped In
FedEx DG Service
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5ml
S101377-5ml
3
10,90US$
25ml
S101377-25ml
3
28,90US$
100ml
S101377-100ml
2
73,90US$
500ml
S101377-500ml
1
304,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

≥99% 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.

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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

Sinónimos
3-04-00-00602 (Beilstein Handbook Reference) | Octanedinitrile | 1, 6-Dicyanohexane | 1, 6-dicyano-hexane | EN300-88679 | NSC 51242 | EINECS 211-089-2 | EINECS 213-202-0 | SCHEMBL411130 | AKOS015839904 | S0298 | Korksaeuredinitril [German] | UNII-JNT1LXA02U
Especificaciones y pureza
≥99%
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
FedEx DG Service
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Pureza
≥99%
Nombres e identificadores
Pubchem Sid488181646
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488181646
Sonrisas canónicasC(CCCC#N)CCC#N
IUPAC Nameoctanedinitrile
InChIKeyBTNXBLUGMAMSSH-UHFFFAOYSA-N
INCHI1S/C8H12N2/c9-7-5-3-1-2-4-6-8-10/h1-6H2
Isómeros SMILES C(CCCC#N)CCC#N
WGK Alemania 1
RTECS WM2131000
PubChem CID 12385
Número ONU 3276
Peso molecular 136.19
Beilstein 1744365
Reaxy-Rn 1744365

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
ClaseOrganonitrogen 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
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
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.

13 results found

Lot NumberCertificate TypeFechaArticulo
E1823044Certificate of AnalysisJan 05, 2026 S101377
A2206676Certificate of AnalysisOct 14, 2025 S101377
A2206668Certificate of AnalysisOct 13, 2025 S101377
A2206749Certificate of AnalysisOct 13, 2025 S101377
D2125035Certificate of AnalysisFeb 07, 2025 S101377
I2504533Certificate of AnalysisJul 06, 2024 S101377
I2504546Certificate of AnalysisJul 06, 2024 S101377
I2504547Certificate of AnalysisJul 06, 2024 S101377
H23071117Certificate of AnalysisDec 17, 2022 S101377
H23071120Certificate of AnalysisDec 17, 2022 S101377
H23071127Certificate of AnalysisDec 17, 2022 S101377
H23071134Certificate of AnalysisDec 17, 2022 S101377
H23071160Certificate of AnalysisDec 17, 2022 S101377

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Propiedades químicas y físicas
SolubilidadSolubility in water: Practically insoluble; Very soluble in Methanol,Acetone
Índice de refracción1.4436℃
Punto de inflamación (°F)230 °F
Punto de inflamación (°C)112℃
Punto de ebullición (°C)185°C
Punto de fusión (°C)-3.5°C
Peso molecular136.190 g/mol
XLogP30.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass136.1 Da
Monoisotopic Mass136.1 Da
Topological Polar Surface Area47.600 Ų
Heavy Atom Count10
Formal Charge0
Complexity135.000
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
Referencias
1. Mingyu Zhang, Jin Zhu, Yunyan Gai, Mengshuang Li, Yuepeng Cai, Dongsheng Lu.  (2025)  Suberonitrile (SUN)/PF6–-Derived Electrode/Electrolyte Interfacial Chemistry in LiNi0.5Mn1.5O4/Graphite High-Voltage Lithium-Ion Cells Using SUN as an Electrolyte Additive.  Journal of Physical Chemistry C,      [PMID:] [10.1021/acs.jpcc.5c02509]
Calculadoras de soluciones
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