Cyclohexanemethanol, 4-​(trifluoromethyl)​-​, trans- - ≥97% , CAS No.1202577-61-4

CAS: 1202577-61-4 Cat. No.: C172515 Formula: C₈H₁₃F₃O Molecular Weight: 182.1834

GRADE & PURITY ≥97%

Synonyms

AM9695 | Tox21_303016 | cis-(4-trifluoromethylcyclohexyl)methanol | 1202577-63-6 | A936584 | Cyclohexanemethanol, 4-(trifluoromethyl)-, cis- | AKOS025395457 | Cyclohexanemethanol, 4-(trifluoromethyl)- | SY127925 | ((1s,4s)-4-(trifluoromethyl)cyclohexyl)me

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AM9695 | Tox21_303016 | cis-(4-trifluoromethylcyclohexyl)methanol | 1202577-63-6 | A936584 | Cyclohexanemethanol, 4-(trifluoromethyl)-, cis- | AKOS025395457 | Cyclohexanemethanol, 4-(trifluoromethyl)- | SY127925 | ((1s,4s)-4-(trifluoromethyl)cyclohexyl)me

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1CC(CCC1CO)C(F)(F)F
• IUPAC Name: [4-(trifluoromethyl)cyclohexyl]methanol
• InChIKey: DYUAPKHFRXRMTL-UHFFFAOYSA-N
• INCHI: 1S/C8H13F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h6-7,12H,1-5H2
• Isomeric SMILES: C1CC(CCC1CO)C(F)(F)F
• Molecular Weight: 182.1834
• Reaxy-Rn: 14430538
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14430538&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Primary alcohols
• Alternative Parents: Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
• 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

Chemical and Physical Properties

• Molecular Weight: 182.180 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 182.092 Da
• Monoisotopic Mass: 182.092 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 136.000
• 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

Frequently Asked Questions

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.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 1202577-61-4, the molecular formula is C8H13F3O, and the molecular weight is 182.1834 g/mol. InChIKey DYUAPKHFRXRMTL-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.

How is this product shipped?

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