3-(Trifluoromethyl)cyclohexanone - ≥97% , CAS No.585-36-4

CAS: 585-36-4 Cat. No.: T469399 Fórmula: C7H9F3O Peso molecular: 166.14 Número CE: 622-175-8 PubChem CID: 2779355
Disponível para encomenda
GRADE & PURITY ≥97%
Synonyms
BBL101509 | FT-0676383 | MFCD00034662 | SCHEMBL1397564 | SB13839 | Z1201617668 | EN300-84003 | DTXSID60381408 | 3-(trifluoromethyl)-cyclohexanone | 3-(Trifluoromethyl)cyclohexanone | ZB1695 | STL555305 | 3-trifluoromethylcyclohexanone | 3-trifluoromethyl-
Storage
Room temperature
★
Size
Alemanha (EU)
USA*
Price
Qty
500mg
T469399-500mg
Sob encomenda · 8–12 semanas
69,33€
Enter a quantity for the sizes you want to add.
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
BBL101509 | FT-0676383 | MFCD00034662 | SCHEMBL1397564 | SB13839 | Z1201617668 | EN300-84003 | DTXSID60381408 | 3-(trifluoromethyl)-cyclohexanone | 3-(Trifluoromethyl)cyclohexanone | ZB1695 | STL555305 | 3-trifluoromethylcyclohexanone | 3-trifluoromethyl-
Especificações e pureza
≥97%
Condições de armazenamento de armazenamento
Room temperature
Pureza
≥97%
Nomes e identificadores
Sorrisos canónicosC1CC(CC(=O)C1)C(F)(F)F
IUPAC Name3-(trifluoromethyl)cyclohexan-1-one
InChIKeyYHADNJOEQWBXAR-UHFFFAOYSA-N
INCHI1S/C7H9F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h5H,1-4H2
SMILES isoméricas C1CC(CC(=O)C1)C(F)(F)F
PubChem CID 2779355
Peso molecular 166.14

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClasseOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones
Direct ParentCyclic ketones
Alternative Parents Organofluorides  Organic oxides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAliphatic homomonocyclic compounds
Substituents Cyclic ketone - Organic oxide - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic homomonocyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
Ponto de ebulição (°C)61-62/20mm
Peso molecular166.140 g/mol
XLogP31.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass166.061 Da
Monoisotopic Mass166.061 Da
Topological Polar Surface Area17.100 Ų
Heavy Atom Count11
Formal Charge0
Complexity162.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluções
Revisões

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