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Isobutyronitrile - 99.2%, high purity , CAS No.78-82-0

    Grade & Purity:
  • ≥99.2%
In stock
Item Number
I475044
Grouped product items
SKU Size
Availability
Price Qty
I475044-100ml
100ml
3
$11.90
I475044-500ml
500ml
2
$39.90
View related series
Cyanides/Nitriles (14)

Basic Description

Synonyms Isopropyl Cyanide | 2-Methylpropionitrile
Specifications & Purity ≥99.2%
Storage Temp Argon charged
Shipped In Normal
Product Description

Description

Isobutyronitrile (IBN) is an aliphatic nitrile. It is widely used as a solvent for electrochemical analyses. IBN can be prepared from amino acids, via anaerobic degradation. It undergoes oxidative dehydrogenation in the presence of an iron phosphate catalyst to afford methacrylonitrile, acetone, carbon oxides and traces of cyanic acid.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organic nitrogen compounds
Class Organonitrogen compounds
Subclass Organic cyanides
Intermediate Tree Nodes Not available
Direct Parent Nitriles
Alternative Parents Organopnictogen compounds  Hydrocarbon derivatives  
Molecular Framework Aliphatic acyclic compounds
Substituents Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
Description This 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

Associated Targets(Human)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Lymphoblastoid cell (5959 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 488180096
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488180096
IUPAC Name 2-methylpropanenitrile
INCHI InChI=1S/C4H7N/c1-4(2)3-5/h4H,1-2H3
InChIKey LRDFRRGEGBBSRN-UHFFFAOYSA-N
Smiles CC(C)C#N
Isomeric SMILES CC(C)C#N
WGK Germany 2
RTECS TZ4900000
UN Number 2284
Packing Group II
Molecular Weight 69.11
Reaxy-Rn 1340512
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1340512&ln=

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.

18 results found

Lot Number Certificate Type Date Item
D2530221 Certificate of Analysis Apr 23, 2025 I475044
D2530187 Certificate of Analysis Apr 23, 2025 I475044
D2530188 Certificate of Analysis Apr 23, 2025 I475044
D2530189 Certificate of Analysis Apr 23, 2025 I475044
K2418308 Certificate of Analysis Nov 09, 2024 I475044
K2418309 Certificate of Analysis Nov 09, 2024 I475044
K2418310 Certificate of Analysis Nov 09, 2024 I475044
K2418311 Certificate of Analysis Nov 09, 2024 I475044
D2422124 Certificate of Analysis Apr 15, 2024 I475044
D2422126 Certificate of Analysis Apr 15, 2024 I475044
D2422123 Certificate of Analysis Apr 15, 2024 I475044
D2422125 Certificate of Analysis Apr 15, 2024 I475044
G2329647 Certificate of Analysis Jun 27, 2023 I475044
G2329669 Certificate of Analysis Jun 27, 2023 I475044
G2329654 Certificate of Analysis Jun 27, 2023 I475044
G2329664 Certificate of Analysis Jun 27, 2023 I475044
B2418163 Certificate of Analysis Jun 27, 2023 I475044
L2313048 Certificate of Analysis Jun 27, 2023 I475044

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Chemical and Physical Properties

Solubility Slightly soluble water; Easily soluble in alcohol and ether; Soluble in acetone
Sensitivity Moisture sensitive; Heat sensitive
Refractive Index 1.3740
Flash Point(°F) 46.4 °F
Flash Point(°C) 8 °C
Boil Point(°C) 107°C
Melt Point(°C) -75°C
Molecular Weight 69.110 g/mol
XLogP3 0.500
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 69.0578 Da
Monoisotopic Mass 69.0578 Da
Topological Polar Surface Area 23.800 Ų
Heavy Atom Count 5
Formal Charge 0
Complexity 55.300
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Citations of This Product

1. Jianwei Dong,Yuan Peng,Na Gao,Jialei Bai,Baoan Ning,Ming Liu,Zhixian Gao.  (2012-08-18)  A novel polymerization of ultrathin sensitive imprinted film on surface plasmon resonance sensor..  The Analyst,  137  ((19)): (4571-4576). 
2. Haosen Zhao, Xin Hu, Hu Kang, Dongdong Yang, Mutai Bao, Yiming Li.  (2023)  Synergistic dispersion and biodegradation of oil in seawater based on Janus nanosheets and oil-degrading bacteria.  Environmental Science-Nano,     
3. Shuqian Wang, Jinli Qin, Yin Liang, Youai Ye, Shushu Li, Yamei Guo, Xiao Yang, Yong Liang.  (2024)  A sensitive Raman spectroscopy sensor for determination cardiac troponin I based on proteolytic peptide magnetic imprinting technology.  MICROCHEMICAL JOURNAL,  196  (109610). 
4. Lei Wang, Zhen Liu, Aihua Li, Jiayan Pu, Zihao Wang, Tao Chen, Degang Jiang, Wenrong Yang, Yanzhi Xia, Jingquan Liu.  (2022)  Zero-Carbon Emission Chemical Method to Remove Formaldehyde without Catalyst by Highly Porous Polymer Composites at Room Temperature.  MACROMOLECULAR RAPID COMMUNICATIONS,  44  (2): (2200629). 
5. Guoqiang Zhang, Zhongqiu Liu, Yinuo Li, Yuanyuan Yu, Yujing Liu, Anguo Ying.  (2022)  First evaluation of multifunctional poly(ionic liquid)s as novel strong bases in directional efficient valorization of lignin.  Sustainable Energy & Fuels,  (22): (5121-5133). 
6. Xian Sun, Jiuwu Wang, Chenguang Huang, Yinping Wu, Jinxing Hou, Yue Situ, Hong Huang.  (2022)  Electrochemical charge/discharge cycling and morphological effects in MnO2/PANC nanostructures for supercapacitors.  ELECTROCHIMICA ACTA,  428  (140929). 
7. Ying Chen, Fengyuan Zhang, Xiaoshuang Shi, Mingyi Lu, Kang Qin, Quan Feng, Rongbo Guo.  (2022)  Synthesis and application of magnetic PS@Fe3O4 microparticles for improving nitrogen removal in wastewater treatment process.  Journal of Environmental Chemical Engineering,  10  (108164). 
8. Danmin Lin, Mingchao Li, Yifei Gao, Liang Yin, Yanqing Guan.  (2022)  Brain-targeted gene delivery of ZnO quantum dots nanoplatform for the treatment of Parkinson disease.  CHEMICAL ENGINEERING JOURNAL,  429  (132210). 
9. Yunjia Yang, Man He, Beibei Chen, Bin Hu.  (2021)  The amino - functionalized magnetic graphene oxide combined with graphite furnace atomic absorption spectrometry for determination of trace inorganic arsenic species in water samples.  TALANTA,  232  (122425). 
10. Wen Wen, Zhinan Wang, Ailian Wang, Qinghui Zeng, Pingping Chen, Xin Wen, Zhenfeng Li, Zengxi Li, Wei Liu, Liaoyun Zhang.  (2020)  A Metal–Organic Framework-5-Incorporated All-Solid-State Composite Polymer Electrolyte Membrane with Enhanced Performances for High-Safety Lithium-Ion Batteries.  Energy Technology,  (2): (2000808). 
11. Zichun Liu, Wei Zhou, Chenlu Wang, Wei Hu, Zilin Chen.  (2020)  Cotton thread modified with ionic liquid copolymerized polymer for online in-tube solid-phase microextraction and HPLC analysis of nonsteroidal anti-inflammatory drugs.  JOURNAL OF SEPARATION SCIENCE,  43  (14): (2827-2833). 
12. Wenda Li, Dezhu Wang, Zhijiang Gong, Xiaosong Guo, Jing Liu, Zhonghua Zhang, Guicun Li.  (2020)  Superior potassium-ion storage properties by engineering pseudocapacitive sulfur/nitrogen-containing species within three-dimensional flower-like hard carbon architectures.  CARBON,  161  (97). 
13. Haohang Zeng, Qingyi Xie, Chunfeng Ma, Guangzhao Zhang.  (2019)  Silicone Elastomer with Surface-Enriched, Nonleaching Amphiphilic Side Chains for Inhibiting Marine Biofouling.  ACS Applied Polymer Materials,  (7): (1689–1696). 
14. Ping Xiao, Song Ye, Huazhen Liao, Yanling Shi, Deping Wang.  (2019)  Extended color tunability and efficient white-light generation through the construction of β-NaYF4: Yb3+/Tm3+/Ho3+ @NaYF4 core-shell structured nanocrystals.  JOURNAL OF SOLID STATE CHEMISTRY,  275  (63). 
15. Tang Qingjie, Wu Wenrong, Zhang Huoli, Luo Junzhi, Zhang Bingyao, Guo Xiangkun, Jia Jianbo, Cao Jianliang.  (2019)  In Situ Ion Exchange Synthesis of Cauliflower-like AgBr/Ag3PO4/Sulfonated Polystyrene Sphere Heterojunction Photocatalyst With Enhanced Photocatalytic Activity.  Journal of Inorganic and Organometallic Polymers and Materials,  29  (4): (1154-1159). 
16. Mingpeng Chen, Dongming Zhang, Jicu Hu, Huapeng Wang, Yumin Zhang, Kejin Li, Qian Rong, Shiqiang Zhou, Jin Zhang, Zhongqi Zhu, Qingju Liu.  (2019)  Excellent toluene gas sensing properties of molecular imprinted Ag-LaFeO3 nanostructures synthesized by microwave-assisted process.  MATERIALS RESEARCH BULLETIN,  111  (320). 
17. Li Wen, Liwen Wang, Shuyi Fang, Lei Bao, Dongdong Hu, Yuan Zong, Ling Zhao, Tao Liu.  (2018)  Stabilization of CO2-in-water emulsions with high internal phase volume using PVAc-b-PVP and PVP-b-PVAc-b-PVP as emulsifying agents.  JOURNAL OF APPLIED POLYMER SCIENCE,  135  (23): (46351). 
18. Qingwei Wang, Jiaqi Jiang, Wei Sui, Xue Lin, Bo Liu.  (2017)  Sensitive Molecularly Imprinted Fluorescence Determination of Pyrethroids using Green Zinc Oxide Quantum Dots.  ANALYTICAL LETTERS,     
19. Dongdong Hu, Yingna Zhang, Mei Su, Lei Bao, Ling Zhao, Tao Liu.  (2016)  Effect of molecular weight on CO2-philicity of poly(vinyl acetate) with different molecular chain structure.  JOURNAL OF SUPERCRITICAL FLUIDS,  118  (96). 
20. Hui-Bo Qin, Zhen-Feng Sun, Xiao-Qin Wang, Jing-Li Yang, Chang-Yu Sun, Bei Liu, Lan-Ying Yang, Guang-Jin Chen.  (2015)  Synthesis and Evaluation of Two New Kinetic Hydrate Inhibitors.  ENERGY & FUELS,  29  (11): (7135–7141). 
21. Yingge Shi, Meiying Liu, Ke Wang, Hongye Huang, Qing Wan, Lei Tao, Lihua Fu, Xiaoyong Zhang, Yen Wei.  (2015)  Direct surface PEGylation of nanodiamond via RAFT polymerization.  APPLIED SURFACE SCIENCE,  357  (2147). 
22. Xiaolin Pei, Lirong Yang, Gang Xu, Qiuyan Wang, Jianping Wu.  (2014)  Discovery of a new Fe-type nitrile hydratase efficiently hydrating aliphatic and aromatic nitriles by genome mining.  JOURNAL OF MOLECULAR CATALYSIS B-ENZYMATIC,  99  (26). 
23. Xianyu Liang,Fan Liu,Yiqun Wan,Xiaoying Yin,Weiting Liu.  (2018-12-16)  Facile synthesis of molecularly imprinted polymers for selective extraction of tyrosine metabolites in human urine..  Journal of chromatography. A,  1587  (34-41). 
24. Shuqian Wang, Jinli Qin, Yin Liang, Youai Ye, Yamei Guo, Shushu Li, Xiao Yang, Yong Liang.  (2024)  A magnetic SERS-imprinted sensor for the determination of cardiac troponin I based on Proteolytic Peptide Technology.  ANALYTICA CHIMICA ACTA,    (343316). 
25. Wanyuan Li, Baiyao Liu, Leyan Ou, Gangzhou Li, Dapeng Lei, Ze Xiong, Huihua Xu, Jizhuang Wang, Jinyao Tang, Dan Li.  (2024)  Arbitrary Construction of Versatile NIR-Driven Microrobots.  ADVANCED MATERIALS,  36  (33): (2402482). 
26. Weiyan Li, Chuansheng Sun, Haiping Wang, Qingyan Bai, Yi Xu, Chunmiao Bo, Junjie Ou.  (2024)  Detection and adsorption of florfenicol in milk using bifunctional carbon dot–doped molecularly imprinted polymers.  ELECTROPHORESIS,     
27. Bo Fang, Xinyue Zhang, Hongliang Liu, Fangchao Zhao, Yuzhu Li, Xiaotong Zeng, Zhenliang Feng, Wenzuo Li, Jie Liu.  (2025)  Improved anti-corrosion performance of epoxy coatings based on pH-sensitive gels loaded with inhibitors.  Journal of Materials Research and Technology-JMR&T,  34  (1682). 
28. Shengxin Chen, Bin He, Yingwei Li, Ruirui Wang, Ping Chen, Xingang Li, Ruixia Liu.  (2024)  Metal coordination center mediated microenvironment regulation of cobalt sites on poly(ionic liquid)s enhance selective oxidation of cyclohexane conversion.  CHEMICAL ENGINEERING JOURNAL,  488  (150865). 
29. Yongqiang Qian, Lei Tan, Wentao He, Liling Liao, Yongjia Wu, Yiyang Chen, Dan Li, Xu Zhang, Guxia Wang, Yen Wei, Shengwei Guo.  (2024)  Octadecyl acrylate-based self-supporting elastic phase change framework materials for the enhancement of photovoltaic conversion efficiency.  GREEN CHEMISTRY,  26  (10): (5940-5953). 
30. Siyi Zeng, Haonan Li, Qian Zhang, Xiangyi Gong, Shaohua Jin, Chongchong She, Junfeng Wang, Lijie Li, Kun Chen, Guanghui Wang.  (2024)  Palladium-Silver Alloys Deposited on Different Carriers for Dehydrogenation of Formic Acid.  ChemistrySelect,  (25): (e202402023). 
31. Xinyu Yin, Kangquan Yang, Liying Liu, Yuanyang Yan, Pihui Pi, Zhang Lin, Xiufang Wen.  (2025)  Preparation of superhydrophilic coatings for inhibiting hydrate nucleation and repelling crude oil.  PROGRESS IN ORGANIC COATINGS,  200  (109042). 
32. Shuaijun Yu, Yazhen Jiang, Geting Xu, Hongyu Liu, Edison Huixiang Ang, Junbin Liao, Jiangnan Shen.  (2024)  PVDF-HFP-Based Pioneering Anion Exchange Membranes for Advanced Sulfuric Acid Enrichment with Reduced Water Mobility.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,  63  (20): (9176-9184). 
33. Changming Zhang, Yuan Wang, Xiaochao Zhang, Zhiyan Dong, Wensheng Wu, Caimei Fan.  (2024)  Self-nitrogen-doped carbon spheres assisted CeO2 composites as a bifunctional adsorbent/photocatalyst for CO2 photoreduction.  FUEL,  362  (130848). 
34. Hao Zhang, Zhengyuan Tao, Ziqi Yu, Tiantian Zhu, Hanlin Rao, Badusha Mohamad Ali, Jianli Wang.  (2024)  TEMPO immobilized polymeric Janus dumbbell: Assembly and catalysis at liquid-liquid interface.  Surfaces and Interfaces,  51  (104541). 
35. Badusha Mohamad Ali, Ziqi Yu, Zhengyuan Tao, Tangxin Zhang, Lei Wang, Chenbing He, Hao Zhang, Jianli Wang.  (2024)  TEMPO-Grafted Polystyrene/Polymethacrylate Organosiloxane Janus Nanohybrids as Efficient Pickering Interfacial Catalyst for Selective Aerobic Oxidation of Cinnamyl Alcohol.  ACS Applied Materials & Interfaces,  16  (16): (20409-20418). 
36. Chen Yongjia, Zhao Yilin, Hua Min, Pan Xuhai, Jiang Huichun, Jiang Juncheng.  (2024)  Thermal runaway inhibition of styrene polymerization reaction by 4,6-dinitro-o-sec-butylphenol (DNBP).  JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY,  149  (10): (4491-4503). 
37. Haiquan Zhang, Ling Wang, Fuge Wang, Qiaoming Fang, Songjiao Chen, Wei He, Ning Wang.  (2024)  Thermal-Responsive Smart Windows with Passive Dimming and Thermal Energy Storage.  ACS Omega,  (25): (27222-27231). 

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