cis-4-(trifluoromethoxy)cyclohexanecarboxylic acid - ≥97% , CAS No.2231666-24-1

CAS: 2231666-24-1 Cat. No.: C632333 분자식: C₈H₁₁O₃F₃ 분자량: 212.17 EC 번호: 839-052-1 PubChem CID: 19961266

GRADE & PURITY ≥97%

Synonyms

SB21876 | trans-4-(trifluoromethoxy)cyclohexanecarboxylic acid | SCHEMBL707201 | EN300-6486614 | NSC816555 | PS-16404 | P13954 | PB41254 | cis-4-(Trifluoromethoxy)cyclohexanecarboxylicacid | 4-(trifluoromethoxy)cyclohexanecarboxylic acid (cis/trans) | MFC

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

SB21876 | trans-4-(trifluoromethoxy)cyclohexanecarboxylic acid | SCHEMBL707201 | EN300-6486614 | NSC816555 | PS-16404 | P13954 | PB41254 | cis-4-(Trifluoromethoxy)cyclohexanecarboxylicacid | 4-(trifluoromethoxy)cyclohexanecarboxylic acid (cis/trans) | MFC

사양 및 순도

≥97%

보관 조건

Room temperature

배송

Normal

순수함

≥97%

이름과 식별자

정식 스마일

C1CC(CCC1C(=O)O)OC(F)(F)F

IUPAC Name

4-(trifluoromethoxy)cyclohexane-1-carboxylic acid

InChIKey

QGMWMYHMLLIPMI-UHFFFAOYSA-N

INCHI

1S/C8H11F3O3/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h5-6H,1-4H2,(H,12,13)

이성체 SMILES

C1CC(CCC1C(=O)O)OC(F)(F)F

대체 CAS

1227187-82-7

PubChem CID

19961266

분자량

212.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • 분류 Alkyl halides
      • Subclass Halomethanes

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 분류: Alkyl halides
• Subclass: Halomethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trihalomethanes
• Alternative Parents: Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Trihalomethane - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Carbonyl group - Alkyl fluoride - Aliphatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as trihalomethanes. These are organic compounds in which exactly three of the four hydrogen atoms of methane (CH4) are replaced by halogen atoms.
• 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

화학 및 물리적 특성

• 분자량: 212.170 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 212.066 Da
• Monoisotopic Mass: 212.066 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 206.000
• 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

자주 묻는 질문

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.

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 2231666-24-1, the molecular formula is C8H11O3F3, and the molecular weight is 212.17 g/mol. InChIKey QGMWMYHMLLIPMI-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.