1-Chloro-2-octyne - ≥97% , CAS No.51575-83-8

CAS: 51575-83-8 Cat. No.: C154112 Formule: C₈H₁₃Cl Poids moléculaire: 144.64 Beilstein Registry Number: 1(4)1035 Numéro CE: 624-232-2

GRADE & PURITY ≥97%

Synonyms

SCHEMBL743189 | BCA57583 | D89416 | AKOS006221474 | 1-Chloro-2-octyne | OUMUOQQKEAGFCJ-UHFFFAOYSA- | 1-chlorooct-2-yne | DTXSID90402216 | 1-Chlor-2-octin | FT-0691008 | MFCD00274223 | InChI=1/C8H13Cl/c1-2-3-4-5-6-7-8-9/h2-5,8H2,1H3 | 1-Chloro-2-octyne, 98

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

1-Chloro-2-octyne is a propargyl halide. Organo-titanium reagent mediated coupling of 1-chloro-2-octyne has been described.

Specifications

Synonymes

SCHEMBL743189 | BCA57583 | D89416 | AKOS006221474 | 1-Chloro-2-octyne | OUMUOQQKEAGFCJ-UHFFFAOYSA- | 1-chlorooct-2-yne | DTXSID90402216 | 1-Chlor-2-octin | FT-0691008 | MFCD00274223 | InChI=1/C8H13Cl/c1-2-3-4-5-6-7-8-9/h2-5,8H2,1H3 | 1-Chloro-2-octyne, 98

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

504762974

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762974

Sourires canoniques

CCCCCC#CCCl

IUPAC Name

1-chlorooct-2-yne

InChIKey

OUMUOQQKEAGFCJ-UHFFFAOYSA-N

INCHI

1S/C8H13Cl/c1-2-3-4-5-6-7-8-9/h2-5,8H2,1H3

Isomères SMILES

CCCCCC#CCCl

WGK Allemagne

3

Poids moléculaire

144.64

Beilstein

1(4)1035

Reaxy-Rn

1744117

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1744117&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 acyclic compounds
• Substituents: Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Description: 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.46
• Point d'éclair (°F): 154.4 °F
• Point d'éclair (°C): 68°C
• Point d'ébullition (°C): 81°C/15mmHg
• Poids moléculaire: 144.640 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 144.071 Da
• Monoisotopic Mass: 144.071 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 104.000
• 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

How is this product shipped?

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

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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

The CAS Number is 51575-83-8, the molecular formula is C8H13Cl, and the molecular weight is 144.64 g/mol. InChIKey OUMUOQQKEAGFCJ-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.