Chlorocyclohexane - ≥99% , CAS No.542-18-7

CAS: 542-18-7 Cat. No.: C106088 Formule: C₆H₁₁Cl Poids moléculaire: 118.61 Beilstein Registry Number: 5,21 Numéro CE: 208-806-6

GRADE & PURITY ≥99%

Synonyms

5-BROMO-4-CHLORO-3-INDOLYLALPHA-D-MANNOPYRANOSIDE | chloranylcyclohexane | UNII-PNV8C821FH | LS-13160 | CYCLOHEXYL CHLORIDE [MI] | J-520026 | CHEBI:39156 | Cyclohexane, chloro- | 4-05-00-00048 (Beilstein Handbook Reference) | CHLOROCYCLOHEXANE [HSDB] | DT

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

5-BROMO-4-CHLORO-3-INDOLYLALPHA-D-MANNOPYRANOSIDE | chloranylcyclohexane | UNII-PNV8C821FH | LS-13160 | CYCLOHEXYL CHLORIDE [MI] | J-520026 | CHEBI:39156 | Cyclohexane, chloro- | 4-05-00-00048 (Beilstein Handbook Reference) | CHLOROCYCLOHEXANE [HSDB] | DT

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥99%

Noms et identifiants

Pubchem Sid

488181231

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181231

Sourires canoniques

C1CCC(CC1)Cl

IUPAC Name

chlorocyclohexane

InChIKey

UNFUYWDGSFDHCW-UHFFFAOYSA-N

INCHI

1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2

Isomères SMILES

C1CCC(CC1)Cl

WGK Allemagne

1

RTECS

GU8685000

Numéro ONU

1993

Groupe d'emballage

III

Poids moléculaire

118.61

Beilstein

5,21

Reaxy-Rn

1900796

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1900796&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Alkyl halides
      • Subclass Cyclohexyl halides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Alkyl halides
• Subclass: Cyclohexyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexyl halides
• Alternative Parents: Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexyl halide - Hydrocarbon derivative - Organochloride - Alkyl chloride - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cyclohexyl halides. These are organohalogen compounds containing a monocyclic cyclohexane moiety that is substituted at one or more positions by an halogen atom.
• External Descriptors: chlorocyclohexane

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, soluble in alcohol.
• Indice de réfraction: 1.4626
• Point d'éclair (°F): 116.6 °F
• Point d'éclair (°C): 28℃
• Point d'ébullition (°C): 142°C
• Point de fusion (°C): -44°C
• Poids moléculaire: 118.600 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 118.055 Da
• Monoisotopic Mass: 118.055 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 46.100
• 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 ≥99% 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 542-18-7, the molecular formula is C6H11Cl, and the molecular weight is 118.61 g/mol. InChIKey UNFUYWDGSFDHCW-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.