Isovaleronitrile - ≥98%(GC) , CAS No.625-28-5

CAS: 625-28-5 Cat. No.: I137312 Formula: C₅H₉N Peso molecolare: 83.13 Numero EC: 210-884-1

GRADE & PURITY ≥98%(GC)

Synonyms

Q24763442 | InChI=1/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H | NCGC00258082-01 | Isopentanenitrile | NCGC00248677-01 | 3-Methylbutanonitrile | DTXSID0021620 | A833827 | F0001-1677 | UNII-N2G72X091L | I0292 | CHEBI:180667 | iso-C4H9CN | AKOS000200377 | BRN 1734239

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Panoramica

Usually used in the synthesis of a new type of nitrilase, arylacetonitrilase by Alcaligenes faecalis JM3 cells.

Isovaleronitrile induced Rhodococcus ATCC 39484 produced a nitrilase

Specifications

Sinonimi

Q24763442 | InChI=1/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H | NCGC00258082-01 | Isopentanenitrile | NCGC00248677-01 | 3-Methylbutanonitrile | DTXSID0021620 | A833827 | F0001-1677 | UNII-N2G72X091L | I0292 | CHEBI:180667 | iso-C4H9CN | AKOS000200377 | BRN 1734239

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice,FedEx DG Service

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 488181593
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181593
• Sorrisi canonici: CC(C)CC#N
• IUPAC Name: 3-methylbutanenitrile
• InChIKey: QHDRKFYEGYYIIK-UHFFFAOYSA-N
• INCHI: 1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3
• Isomeri SMILES: CC(C)CC#N
• WGK Germania: 3
• RTECS: NY1750000
• Peso molecolare: 83.13
• Reaxy-Rn: 1734239
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1734239&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: 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
• Descrizione: 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: Not available

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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.39
• Punto di infiammabilità (°F): 82.4 °F
• Punto di infiammabilità (°C): 28°C(lit.)
• Punto di ebollizione (°C): 130 °C
• Punto di fusione (°C): -101 °C
• Peso molecolare: 83.130 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 83.0735 Da
• Monoisotopic Mass: 83.0735 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 65.300
• 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

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

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 625-28-5, the molecular formula is C5H9N, and the molecular weight is 83.13 g/mol. InChIKey QHDRKFYEGYYIIK-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.