1,5-Dicyanopentane - ≥98% , CAS No.646-20-8

CAS: 646-20-8 Cat. No.: D121816 Formule: NC(CH₂)₅CN Poids moléculaire: 122.17 Beilstein Registry Number: 1742138 Numéro CE: 211-469-8

GRADE & PURITY ≥98%

Synonyms

MS-20922 | InChI=1/C7H10N2/c8-6-4-2-1-3-5-7-9/h1-5H | FT-0653989 | 1,7-heptanedinitrile | 3D5H23A27Q | AI3-28713 | Pimelic acid dinitrile | 1,5-Dicyanopentane, 98% | Pentamethylene dicyanide | 1,5-Dicyanopentane | MFCD00001980 | SCHEMBL818520 | AKOS009157

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonymes

MS-20922 | InChI=1/C7H10N2/c8-6-4-2-1-3-5-7-9/h1-5H | FT-0653989 | 1,7-heptanedinitrile | 3D5H23A27Q | AI3-28713 | Pimelic acid dinitrile | 1,5-Dicyanopentane, 98% | Pentamethylene dicyanide | 1,5-Dicyanopentane | MFCD00001980 | SCHEMBL818520 | AKOS009157

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488181708

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181708

Sourires canoniques

C(CCC#N)CCC#N

IUPAC Name

heptanedinitrile

InChIKey

LLEVMYXEJUDBTA-UHFFFAOYSA-N

INCHI

1S/C7H10N2/c8-6-4-2-1-3-5-7-9/h1-5H2

Isomères SMILES

C(CCC#N)CCC#N

WGK Allemagne

3

RTECS

MI9020000

Poids moléculaire

122.17

Beilstein

1742138

Reaxy-Rn

1742138

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1742138&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
• 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: 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

Propriétés chimiques et physiques

• Solubilité: Insoluble in water; miscible with ether, chloroform, and ethanol
• Indice de réfraction: 1.441
• Point d'éclair (°F): 233.6 °F
• Point d'éclair (°C): 112 °C
• Point d'ébullition (°C): 175°C/14mmHg
• Poids moléculaire: 122.170 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 122.084 Da
• Monoisotopic Mass: 122.084 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 125.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 646-20-8, the molecular formula is C7H10N2, and the molecular weight is 122.17 g/mol. InChIKey LLEVMYXEJUDBTA-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.