3-(Trifluoromethyl)cyclohexanol, mixture of cis/trans isomers , CAS No.454-63-7

CAS: 454-63-7 Cat. No.: T170436 Molecular Weight: 168.16 EC Number: 830-010-8 PubChem CID: 2777487
AVAILABLE TO ORDER
Synonyms
3-(trifluoromethyl)cyclohexan-1-ol | 3-(TRIFLUOROMETHYL)CYCLOHEXANOL (CIS/TRANS) | STL557538 | 3-trifluoromethyl-cyclohexanol | EN300-62207 | FT-0613944 | F89032 | ZB1694 | SCHEMBL4014248 | Cyclohexanol, 3-(trifluoromethyl)- | SY180029 | Z979440134 | WGZG
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
T170436-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$85.90

$100.90
Save $15.00 (14.87%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal 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

Synonyms
3-(trifluoromethyl)cyclohexan-1-ol | 3-(TRIFLUOROMETHYL)CYCLOHEXANOL (CIS/TRANS) | STL557538 | 3-trifluoromethyl-cyclohexanol | EN300-62207 | FT-0613944 | F89032 | ZB1694 | SCHEMBL4014248 | Cyclohexanol, 3-(trifluoromethyl)- | SY180029 | Z979440134 | WGZG
Storage
Room temperature
Shipped In
Normal
Names and Identifiers
Canonical SmilesC1CC(CC(C1)O)C(F)(F)F
IUPAC Name3-(trifluoromethyl)cyclohexan-1-ol
InChIKeyWGZGFRDYYXKLRB-UHFFFAOYSA-N
INCHI1S/C7H11F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h5-6,11H,1-4H2
Isomeric SMILES C1CC(CC(C1)O)C(F)(F)F
PubChem CID 2777487
Molecular Weight 168.16

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
ClassOrganooxygen compounds
SubclassAlcohols and polyols
Intermediate Tree Nodes Secondary alcohols
Direct ParentCyclohexanols
Alternative Parents Cyclic alcohols and derivatives  Organofluorides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAliphatic homomonocyclic compounds
Substituents Cyclohexanol - Cyclic alcohol - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight168.160 g/mol
XLogP32.200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass168.076 Da
Monoisotopic Mass168.076 Da
Topological Polar Surface Area20.200 Ų
Heavy Atom Count11
Formal Charge0
Complexity132.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.