5-Chlorovaleronitril - ≥96%(GC) , CAS No.6280-87-1

CAS: 6280-87-1 Cat. No.: C153827 Summenformel: C₅H₈ClN Molekulargewicht: 117.58 Beilstein Registry Number: 1742080 EG-Nummer: 228-481-4

GRADE & PURITY ≥96%(GC)

Synonyms

4-Chlorobutyl Cyanide | UNII-091QB7QO95 | 3beta-Acetoxychoesta-5,7-diene | SCHEMBL851045 | NSC6156 | NSC-6156 | 5-Chloropentanenitrile | JSAWFGSXRPCFSW-UHFFFAOYSA- | AI3-20151 | AKOS000121428 | Valeronitrile, 5-chloro- | C1421 | Pentanenitrile, 5-chloro-

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

4-Chlorobutyl Cyanide | UNII-091QB7QO95 | 3beta-Acetoxychoesta-5,7-diene | SCHEMBL851045 | NSC6156 | NSC-6156 | 5-Chloropentanenitrile | JSAWFGSXRPCFSW-UHFFFAOYSA- | AI3-20151 | AKOS000121428 | Valeronitrile, 5-chloro- | C1421 | Pentanenitrile, 5-chloro-

Spezifikationen & Reinheit

≥96%(GC)

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥96%(GC)

Namen und Kennungen

Pubchem Sid

488185864

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185864

Kanonisches Lächeln

C(CCCl)CC#N

IUPAC Name

5-chloropentanenitrile

InChIKey

JSAWFGSXRPCFSW-UHFFFAOYSA-N

INCHI

1S/C5H8ClN/c6-4-2-1-3-5-7/h1-4H2

Isomere SMILES

C(CCCl)CC#N

WGK Deutschland

3

Molekulargewicht

117.58

Beilstein

1742080

Reaxy-Rn

1742079

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1742079&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: Organonitrogen compounds
• Subclass: Organic cyanides
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitriles
• Alternative Parents: Organopnictogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: air、moisture sensitive
• Brechungsindex: 1.45
• Flammpunkt (°F): 208.4 °F
• Flammpunkt (°C): 98 °C
• Siedepunkt (°C): 118 °C/28 mmHg
• Molekulargewicht: 117.580 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 117.035 Da
• Monoisotopic Mass: 117.035 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 71.400
• 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

Häufig gestellte Fragen

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

This product is supplied at ≥96% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 6280-87-1, the molecular formula is C5H8ClN, and the molecular weight is 117.58 g/mol. InChIKey JSAWFGSXRPCFSW-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.