4-(4-Chlorophenyl)cyclohexanecarboxylic acid - ≥98% , CAS No.95233-37-7

CAS: 95233-37-7 Cat. No.: C196043 Formule: C₁₃H₁₅ClO₂ Poids moléculaire: 238.71 Numéro CE: 827-166-4

GRADE & PURITY ≥98%

Synonyms

4-(4-chlorophenyl)cyclohexane-l-carboxylic acid | (E)-4-(4-chlorophenyl)cyclohexanecarboxylic acid | FT-0616614 | PS-7612 | trans-4-(4-chlorophenyl)cyclohexane carboxylic acid | 1346600-43-8 | SB66837 | trans-4-(p-Chlorophenyl)cyclohexanecarboxylic acid |

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonymes

4-(4-chlorophenyl)cyclohexane-l-carboxylic acid | (E)-4-(4-chlorophenyl)cyclohexanecarboxylic acid | FT-0616614 | PS-7612 | trans-4-(4-chlorophenyl)cyclohexane carboxylic acid | 1346600-43-8 | SB66837 | trans-4-(p-Chlorophenyl)cyclohexanecarboxylic acid |

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Protected from light,Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: C1CC(CCC1C2=CC=C(C=C2)Cl)C(=O)O
• IUPAC Name: 4-(4-chlorophenyl)cyclohexane-1-carboxylic acid
• InChIKey: NXXDIEYTMQYWJU-UHFFFAOYSA-N
• INCHI: 1S/C13H15ClO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h5-9,11H,1-4H2,(H,15,16)
• Isomères SMILES: C1CC(CCC1C2=CC=C(C=C2)Cl)C(=O)O
• Poids moléculaire: 238.71
• Reaxy-Rn: 8059512
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8059512&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorobenzene - Aryl halide - Aryl chloride - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Light sensitive
• Poids moléculaire: 238.710 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 238.076 Da
• Monoisotopic Mass: 238.076 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 238.000
• 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

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 should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

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 95233-37-7, the molecular formula is C13H15ClO2, and the molecular weight is 238.71 g/mol. InChIKey NXXDIEYTMQYWJU-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.