Malonitrile - ≥99% , CAS No.109-77-3

CAS: 109-77-3 Cat. No.: M104481 Fórmula: C₃H₂N₂ Peso molecular: 66.06 Beilstein Registry Number: 773697 Número EC: 203-703-2

GRADE & PURITY ≥99%

Synonyms

MALONONITRILE [MI] | EINECS 203-703-2 | Malononitril | DTXCID701907 | 1,1-dicyanomethane | Dicyanmethane | FT-0689819 | Malononitrile, >=99% | EN300-19714 | J-002327 | Malonic dinitrile | Nitrile kyseliny malonove | Nitrile kyseliny malonove [Czech] | Nit

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice,FedEx DG Service

Descripción general

Malononitrile, a weak cyanocarbon acid, is a versatile compound with exceptional reactivity, widely used in condensation reactions.
Malononitrile may be used in the base-promoted on-water synthesis of [1,6]-naphthyridines; synthesis of γ-ketoamides;preparation of heterocyclic privileged medicinal scaffolds involving pyridine, 1,4-dihydropyridine, chromeno[2,3-b]pyridine and dihydro-1,4-dithiepine frameworks.

Malonitrile, a weak cyanocarbonic acid, is a highly reactive multifunctional compound. This crystalline aliphatic nitrile can be used as a synthetic block for the synthesis of heterocyclic compounds and polymers

Specifications

Sinónimos

MALONONITRILE [MI] | EINECS 203-703-2 | Malononitril | DTXCID701907 | 1,1-dicyanomethane | Dicyanmethane | FT-0689819 | Malononitrile, >=99% | EN300-19714 | J-002327 | Malonic dinitrile | Nitrile kyseliny malonove | Nitrile kyseliny malonove [Czech] | Nit

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light,Argon charged

Enviado en

Wet ice,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 Sid: 504751542
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751542
• Sonrisas canónicas: C(C#N)C#N
• IUPAC Name: propanedinitrile
• InChIKey: CUONGYYJJVDODC-UHFFFAOYSA-N
• INCHI: 1S/C3H2N2/c4-2-1-3-5/h1H2
• Isómeros SMILES: C(C#N)C#N
• WGK Alemania: 3
• RTECS: OO3150000
• Número ONU: 2647
• Grupo de embalaje: II
• Peso molecular: 66.06
• Beilstein: 773697
• Reaxy-Rn: 773697
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=773697&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Organic cyanides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: 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
• Descripción: 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: dinitrile - aliphatic nitrile

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: Soluble in water, acetone, acetic acid, chloroform, ethanol, ether and benzene.
• Sensibilidad: Heat,Light & Air sensitive
• Punto de congelación (°C): 32 °C
• Índice de refracción: 1.4146
• Punto de inflamación (°F): 186.8 °F
• Punto de inflamación (°C): 112℃
• Punto de ebullición (°C): 218～219°C
• Punto de fusión (°C): 32°C
• Peso molecular: 66.060 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 66.0218 Da
• Monoisotopic Mass: 66.0218 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 82.600
• 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

Referencias

1. Qiang Liu, Jia-Ni Zhang, Ting-Liang Xie, Shi-Xiao Wei, Hao-Tian Tong, Shuang-Feng Yin.  (2023)  Controlled synthesis of ZIFs by microemulsion method at high-throughput in a chaotic microreactor.  Chemical Engineering and Processing-Process Intensification,      [PMID:] [10.1016/j.cep.2023.109602]

2. Xiao-Chen Ma, Chun Pu, Yue-Xing Zhang, Gang-Gang Chang, Ge Tian, Si-Ming Wu, Jia-Wen Liu, Zhi-Yi Hu, Li-Ying Wang, Yi-Xia Yin, Christoph Janiak, Xiao-Yu Yang.  (2021)  Confined Pd clusters with dynamic structure for highly efficient Cascade-type catalysis.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2021.132128]

3. Linfeng Chen, Xike Tian, Yong Li, Chao Yang, Liqiang Lu, Zhaoxin Zhou, Yulun Nie.  (2019)  An AIE dye based smartphone and LDA integrated portable, intelligent and rapid detection system as trace water indicator and cyanide detector.  DYES AND PIGMENTS,      [PMID:] [10.1016/j.dyepig.2019.03.008]

4. Li Changjiang, Xiang Kaiqiang, Liu Yunchang, Zheng Yuchuan, Pan Le, Tian Baozhu, Zhang Jinlong.  (2015)  A colorimetric and fluorescent chemodosimeter responding to Cu2+ with high selectivity and sensitivity.  RESEARCH ON CHEMICAL INTERMEDIATES,  41  (8): (5915-5927).  [PMID:] [10.1007/s11164-015-2034-1]

5. Xiang-yu Kong, Shao-Min Shuang, Yue-tao Zhang, Yu Wang, Chuan Dong.  (2022)  Dicyanoisophorone-based fluorescent probe with large Stokes shift for ratiometric detection and imaging of exogenous/endogenous hypochlorite in cell and zebrafish.  TALANTA,      [PMID:35189411] [10.1016/j.talanta.2022.123293]

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 109-77-3, the molecular formula is C3H2N2, and the molecular weight is 66.06 g/mol. InChIKey CUONGYYJJVDODC-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.