7-Bromoheptanenitrile - ≥90% , CAS No.20965-27-9

CAS: 20965-27-9 Cat. No.: B354089 Formula: C₇H₁₂BrN Peso molecolare: 190.09 Numero EC: 244-128-7

QUALITÀ & PUREZZA ≥90%

Synonyms

NSC 60131 | FT-0621369 | 1-bromo-6-cyanohexane | DTXSID5066667 | AS-80699 | 6-bromohexylcyanide | F0001-0749 | 6-Cyanohexyl bromide | 7-Bromoheptanenitrile, 90% | 7-Bromoheptanonitrile | 7-bromo-heptanonitrile | 6-Bromo Hexyl Cyanide | NSC60131 | NSC-6013

Storage

Room temperature

Shipped In

Normal

Panoramica

application：

7-Bromoheptanenitrile was used in the synthesis of (±)-15-deoxyspergualin, a new immunosuppressive agent.

Specifiche

Sinonimi

NSC 60131 | FT-0621369 | 1-bromo-6-cyanohexane | DTXSID5066667 | AS-80699 | 6-bromohexylcyanide | F0001-0749 | 6-Cyanohexyl bromide | 7-Bromoheptanenitrile, 90% | 7-Bromoheptanonitrile | 7-bromo-heptanonitrile | 6-Bromo Hexyl Cyanide | NSC60131 | NSC-6013

Specifiche e purezza

≥90%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥90%

Nomi e identificatori

Pubchem Sid

488186519

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186519

Sorrisi canonici

C(CCCBr)CCC#N

IUPAC Name

7-bromoheptanenitrile

InChIKey

HVVQSKCGHAPHMV-UHFFFAOYSA-N

INCHI

1S/C7H12BrN/c8-6-4-2-1-3-5-7-9/h1-6H2

Isomeri SMILES

C(CCCBr)CCC#N

Peso molecolare

190.09

Reaxy-Rn

1748070

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1748070&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 Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - 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

• Punto di infiammabilità (°F): >230°F
• Punto di infiammabilità (°C): >110°C
• Punto di ebollizione (°C): 140-141°/14mm
• Peso molecolare: 190.080 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 189.015 Da
• Monoisotopic Mass: 189.015 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 92.300
• 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?

This product is supplied at ≥90% 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 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 20965-27-9, the molecular formula is C7H12BrN, and the molecular weight is 190.09 g/mol. InChIKey HVVQSKCGHAPHMV-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.