Hexanedinitrile - ≥99% , CAS No.111-69-3

CAS: 111-69-3 Cat. No.: N104487 Peso molecular: 108.14 Beilstein Registry Number: 1740005 Número EC: 203-896-3
Disponible para pedir
GRADE & PURITY ≥99%
Synonyms
Tox21_300026 | A0168 | Adiponitrile, 99% | Nitrile adipico [Italian] | ADIPONITRILE | Adipyldinitrile | Hexanedinitrile | InChI=1/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H | AI3-11080 | MLS002415709 | Adipinsaeuredinitril | HSDB 627 | NCGC00090882-01 | UNII-SYT33B891
Storage
Room temperature,Argon charged,Desiccated
Shipped In
FedEx DG Service
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
100ml
N104487-100ml
10
11,90US$
500ml
N104487-500ml
3
41,90US$
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,Argon charged,Desiccated 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 11 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
Tox21_300026 | A0168 | Adiponitrile, 99% | Nitrile adipico [Italian] | ADIPONITRILE | Adipyldinitrile | Hexanedinitrile | InChI=1/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H | AI3-11080 | MLS002415709 | Adipinsaeuredinitril | HSDB 627 | NCGC00090882-01 | UNII-SYT33B891
Especificaciones y pureza
≥99%
Condiciones de almacenamiento de almacenamiento
Room temperature, Argon charged, Desiccated
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 Sid488180701
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488180701
Sonrisas canónicasC(CCC#N)CC#N
IUPAC Namehexanedinitrile
InChIKeyBTGRAWJCKBQKAO-UHFFFAOYSA-N
INCHI1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2
Isómeros SMILES C(CCC#N)CC#N
WGK Alemania 1
RTECS AV2625000
Número ONU 2205
Grupo de embalaje III
Peso molecular 108.14
Beilstein 1740005
Reaxy-Rn 1740005
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1740005&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
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





Objetivos asociados (humanos)
GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
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.

23 results found

Lot NumberCertificate TypeFechaArticulo
A2211671Certificate of AnalysisOct 13, 2025 N104487
H2407587Certificate of AnalysisJul 31, 2024 N104487
H2407586Certificate of AnalysisJul 31, 2024 N104487
A2620121Certificate of AnalysisJul 31, 2024 N104487
H2407585Certificate of AnalysisJul 31, 2024 N104487
F2602104Certificate of AnalysisJul 31, 2024 N104487
J2414841Certificate of AnalysisApr 29, 2024 N104487
J2414840Certificate of AnalysisApr 29, 2024 N104487
G2522055Certificate of AnalysisApr 29, 2024 N104487
G2522054Certificate of AnalysisApr 29, 2024 N104487
C2016169Certificate of AnalysisJan 18, 2024 N104487
A2425308Certificate of AnalysisJan 12, 2024 N104487
A2425325Certificate of AnalysisJan 12, 2024 N104487
A2425324Certificate of AnalysisJan 12, 2024 N104487
A2425313Certificate of AnalysisJan 12, 2024 N104487
A2425309Certificate of AnalysisJan 12, 2024 N104487
B2327668Certificate of AnalysisFeb 15, 2023 N104487
B2327577Certificate of AnalysisFeb 15, 2023 N104487
B2327568Certificate of AnalysisFeb 15, 2023 N104487
H2310032Certificate of AnalysisFeb 15, 2023 N104487
L2307177Certificate of AnalysisFeb 15, 2023 N104487
B2302380Certificate of AnalysisFeb 13, 2023 N104487
J2211503Certificate of AnalysisOct 13, 2022 N104487

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Propiedades químicas y físicas
SolubilidadSlightly soluble in water, ether and alcohol.
SensibilidadHygroscopic
Índice de refracción1.437-1.439
Punto de inflamación (°F)325.4 °F
Punto de inflamación (°C)163℃
Punto de ebullición (°C)295°C
Punto de fusión (°C)1-3°C
Peso molecular108.140 g/mol
XLogP3-0.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass108.069 Da
Monoisotopic Mass108.069 Da
Topological Polar Surface Area47.600 Ų
Heavy Atom Count8
Formal Charge0
Complexity113.000
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. Qingshuai Xu, Xuejun Lai, Gaige Zhang, Tan Li, Yongcai Qiu.  (2023)  Tailoring the passivation layer on lithium metal anode and aluminum collector by regulating the solvation structure to enhance the long-term cycling of lithium metal batteries.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.148021]
2. Jie Huang, Wenhao Yang, Sen Zhang, Jingjie Luo, Changhai Liang.  (2023)  Alkali-free hydrogenation of adiponitrile to hexamethylenediamine by Co@C skeleton strengthened with carbon nanotubes.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2023.113585]
3. Shujian Zhang, Hongmo Zhu, Lanfang Que, Xuning Leng, Lei Zhao, Zhenbo Wang.  (2023)  Effect of Carrier Film Phase Conversion Time on Polyacrylate Polymer Electrolyte Properties in All-Solid-State LIBs.  Batteries-Basel,  (9): (471).  [PMID:] [10.3390/batteries9090471]
4. Guang-Rong Ding, Yao-Feng Wang, Guo-Yi Duan, Tao Guo, Xiao-Feng Xu, Chun-Shan Li, Bao-Hua Xu.  (2022)  Chemoselective nitrilation of dimethyl adipate with ammonia over carbon encapsulated WOx catalysts under continuous flow conditions.  Catalysis Science & Technology,  12  (12): (3982-3991).  [PMID:] [10.1039/D2CY00733A]
5. Ping Zhang, Shi-You Li, Xiao-Hong Wei, Chun-Lei Li, Shu-Juan Meng, Xiao-Ling Cui, Qiong Su, Dong-Ni Zhao.  (2021)  Boosting the comprehensive performance for a Co-free high-voltage system with a multi-component nitrile.  NEW JOURNAL OF CHEMISTRY,  45  (44): (20681-20689).  [PMID:] [10.1039/D1NJ04080D]
6. Tianle Zheng, Jianwei Xiong, Bingying Zhu, Xiaotang Shi, Ya-Jun Cheng, Hongbin Zhao, Yonggao Xia.  (2021)  From −20 °C to 150 °C: a lithium secondary battery with a wide temperature window obtained via manipulated competitive decomposition in electrolyte solution.  Journal of Materials Chemistry A,  (14): (9307-9318).  [PMID:] [10.1039/D1TA00895A]
7. Liying Xu, Zhenlei Wang, Saidi Wang, Yanrong Liu, Xingmei Lu, Bing Yang, Ke Wang, Lijun Han, Jiayu Xin, Suojiang Zhang.  (2024)  Symmetrical Ionic Liquids Effectively Promote the Electrolytic Dimerization of Acrylonitrile to Adiponitrile.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.4c01963]
8. Zixuan Zheng, John Lou Yao, Qiang Yao.  (2025)  Chemical Interactions between Polyamide 66 and Phosphorus Flame Retardants.  POLYMER DEGRADATION AND STABILITY,      [PMID:] [10.1016/j.polymdegradstab.2025.111435]
9. Peng Yang, Lucheng Li, Meiling Liu, Jun Chen.  (2025)  Hybrid additives of lithium difluorophosphate (LIDFP) and adiponitrile (ADN): improving the high-voltage behaviors of NCM811 lithium-ion batteries.  Journal of Energy Storage,      [PMID:] [10.1016/j.est.2025.119479]
10. Zhi-Rong Fu, Xin Zhang, Jing-Yuan Hao, Yu Han, Yu-Wei Xiang, Bao-Ju Wang, Xiang-Sen Wu, Yong Luo.  (2025)  An Efficient Co/NC Catalyst for the Hydrogenation of ADN to HMDA: Synergistic Effect of Co0 Content and Dispersion.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.5c03889]
11. Shu Yang, Haonan Huang, Hailin Shen, Mengyuan Zhou, Liang Yuan, Yunyun Gao, Jinlei Zhang, Yike Wei, Changchun Ye, Weishan Li, Zhenghui Pan.  (2025)  Multi-functional nitrile-based electrolyte additives enable stable lithium metal batteries with high-voltage nickel-rich cathodes.  Chemical Science,  16  (10): (4501-4511).  [PMID:39926713] [10.1039/D4SC08045A]
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