cis-4-(Trifluoromethyl)cyclohexanecarboxylic Acid - ≥98%(GC)(T) , CAS No.1202578-27-5

CAS: 1202578-27-5 Cat. No.: C153452 Formula: C₈H₁₁F₃O₂ Peso molecolare: 196.17 Numero EC: 805-904-6

GRADE & PURITY ≥98%(GC)(T)

Synonyms

(1r,4r)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid | A888144 | MFCD09037361 | TRANS-4-TRIFLUOROMETHYLCYCLOHEXANECARBOXYLIC ACID | trans-4-Trifluoromethyl-cyclohexanecarboxylic acid | trans-4-trifluoromethyl-cyclohexane-carboxylic acid | J-006340 | 4

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

(1r,4r)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid | A888144 | MFCD09037361 | TRANS-4-TRIFLUOROMETHYLCYCLOHEXANECARBOXYLIC ACID | trans-4-Trifluoromethyl-cyclohexanecarboxylic acid | trans-4-trifluoromethyl-cyclohexane-carboxylic acid | J-006340 | 4

Specifiche e purezza

≥98%(GC)(T)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(GC)(T)

Nomi e identificatori

Pubchem Sid

504762025

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762025

Sorrisi canonici

C1CC(CCC1C(=O)O)C(F)(F)F

IUPAC Name

4-(trifluoromethyl)cyclohexane-1-carboxylic acid

InChIKey

LMEAZIIFLVDISW-UHFFFAOYSA-N

INCHI

1S/C8H11F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h5-6H,1-4H2,(H,12,13)

Isomeri SMILES

C1CC(CCC1C(=O)O)C(F)(F)F

Peso molecolare

196.17

Reaxy-Rn

5510857

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5510857&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aliphatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
• 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in Methanol
• Punto di fusione (°C): 99 °C
• Peso molecolare: 196.170 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 196.071 Da
• Monoisotopic Mass: 196.071 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 192.000
• 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

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 1202578-27-5, the molecular formula is C8H11F3O2, and the molecular weight is 196.17 g/mol. InChIKey LMEAZIIFLVDISW-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.