4-(4-Chlorophenyl)cyclohexanone - ≥98% , CAS No.14472-80-1

CAS: 14472-80-1 Cat. No.: C190953 分子式: C₁₂H₁₃ClO 分子量: 208.68

GRADE & PURITY ≥98%

Synonyms

AKOS015890365 | SB66795 | DTXSID20562251 | 4-(4-chlorophenyl)cyclohexan-1-one | SCHEMBL3536658 | DS-13281 | J-513487 | A808274 | AMY15784 | AC-26582 | MFCD11850091 | 4-(4'-Chlorophenyl)cyclohexanone | 4-(4-Chlorophenyl)cyclohexanone | 4-(4-chloro-phenyl)-

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

AKOS015890365 | SB66795 | DTXSID20562251 | 4-(4-chlorophenyl)cyclohexan-1-one | SCHEMBL3536658 | DS-13281 | J-513487 | A808274 | AMY15784 | AC-26582 | MFCD11850091 | 4-(4'-Chlorophenyl)cyclohexanone | 4-(4-Chlorophenyl)cyclohexanone | 4-(4-chloro-phenyl)-

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

• パブケム・シド: 488198699
• カノニカル・スマイル: C1CC(=O)CCC1C2=CC=C(C=C2)Cl
• IUPAC Name: 4-(4-chlorophenyl)cyclohexan-1-one
• InChIKey: JNBOVWFOTNYTES-UHFFFAOYSA-N
• INCHI: 1S/C12H13ClO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-2,5-6,10H,3-4,7-8H2
• 異性体SMILES: C1CC(=O)CCC1C2=CC=C(C=C2)Cl
• 分子量: 208.68
• Reaxy-Rn: 1959161
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1959161&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Aryl chlorides Cyclic ketones Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorobenzene - Aryl halide - Aryl chloride - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• 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

化学的性質と物理的性質

• 分子量: 208.680 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 208.065 Da
• Monoisotopic Mass: 208.065 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 196.000
• 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

よくある質問

How should this product be stored?

Store at room temperature.

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 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 14472-80-1, the molecular formula is C12H13ClO, and the molecular weight is 208.68 g/mol. InChIKey JNBOVWFOTNYTES-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.