Chlorocycloheptane - ≥96%(GC) , CAS No.2453-46-5

CAS: 2453-46-5 Cat. No.: C153659 Formula: C₇H₁₃Cl Peso molecolare: 132.63 Numero EC: 219-522-7

GRADE & PURITY ≥96%(GC)

Synonyms

4-chlorocycloheptane | FT-0624175 | NSC 75844 | BS-16740 | DTXSID70179277 | EINECS 219-522-7 | C7H13Cl | Cycloheptane, chloro- | Chlorocycloheptane | chloro-cycloheptane | CAA45346 | InChI=1/C7H13Cl/c8-7-5-3-1-2-4-6-7/h7H,1-6H | 9DGZ35VX23 | SCHEMBL171098

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinonimi

4-chlorocycloheptane | FT-0624175 | NSC 75844 | BS-16740 | DTXSID70179277 | EINECS 219-522-7 | C7H13Cl | Cycloheptane, chloro- | Chlorocycloheptane | chloro-cycloheptane | CAA45346 | InChI=1/C7H13Cl/c8-7-5-3-1-2-4-6-7/h7H,1-6H | 9DGZ35VX23 | SCHEMBL171098

Specifiche e purezza

≥96%(GC)

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥96%(GC)

Nomi e identificatori

• Pubchem Sid: 504754963
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754963
• Sorrisi canonici: C1CCCC(CC1)Cl
• IUPAC Name: chlorocycloheptane
• InChIKey: KMJSGLZXFNSANB-UHFFFAOYSA-N
• INCHI: 1S/C7H13Cl/c8-7-5-3-1-2-4-6-7/h7H,1-6H2
• Isomeri SMILES: C1CCCC(CC1)Cl
• Peso molecolare: 132.63
• Reaxy-Rn: 1900950
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1900950&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Organochlorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organochlorides
• Alternative Parents: Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine atom.
• 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

• Sensibilità: Air sensitive
• Indice di rifrazione: 1.47
• Punto di infiammabilità (°C): 48 °C
• Punto di ebollizione (°C): 175°C
• Peso molecolare: 132.630 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 132.071 Da
• Monoisotopic Mass: 132.071 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 53.400
• 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

Domande frequenti

How is this product shipped?

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

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.

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

The CAS Number is 2453-46-5, the molecular formula is C7H13Cl, and the molecular weight is 132.63 g/mol. InChIKey KMJSGLZXFNSANB-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.