1-(Trifluoromethyl)cyclopentane-1-carboxylic acid - ≥97% , CAS No.277756-44-2

CAS: 277756-44-2 Cat. No.: T169217 Molecular Weight: 182.14 EC Number: 622-581-5 PubChem CID: 15507525

GRADE & PURITY ≥97%

Synonyms

Cyclopentanecarboxylic acid, 1-(trifluoromethyl)- | I10028 | AS-49396 | EN300-88142 | 1-(Trifluoromethyl)cyclopentane-1-carboxylic acid, 97% | 1-(Trifluoromethyl)cyclopentane-1-carboxylic acid | 1-(triluoromethyl)cyclopentane-1-carboxylic acid | 1-Trifluo

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

1-(Trifluoromethyl)cyclopentanecarboxylic acid is used as pharmaceutical intermediate.

Specifications

Synonyms

Cyclopentanecarboxylic acid, 1-(trifluoromethyl)- | I10028 | AS-49396 | EN300-88142 | 1-(Trifluoromethyl)cyclopentane-1-carboxylic acid, 97% | 1-(Trifluoromethyl)cyclopentane-1-carboxylic acid | 1-(triluoromethyl)cyclopentane-1-carboxylic acid | 1-Trifluo

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504767872
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767872
• Canonical Smiles: C1CCC(C1)(C(=O)O)C(F)(F)F
• IUPAC Name: 1-(trifluoromethyl)cyclopentane-1-carboxylic acid
• InChIKey: DGQRYPPBAJNZFZ-UHFFFAOYSA-N
• INCHI: 1S/C7H9F3O2/c8-7(9,10)6(5(11)12)3-1-2-4-6/h1-4H2,(H,11,12)
• Isomeric SMILES: C1CCC(C1)(C(=O)O)C(F)(F)F
• WGK Germany: 3
• PubChem CID: 15507525
• Molecular Weight: 182.14

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Insoluble in water.
• Flash Point(°F): >230 °F
• Flash Point(°C): >110 °C
• Melt Point(°C): 36-38℃
• Molecular Weight: 182.140 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 182.055 Da
• Monoisotopic Mass: 182.055 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 191.000
• 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