(2,8-Bis-trifluoromethyl-quinolin-4-yl)-pyridin-2-yl-methanol - Reagent grade , CAS No.68496-04-8

CAS: 68496-04-8 Cat. No.: B479360 Molecular Weight: 372.26 EC Number: 809-607-2
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GRADE & PURITY Reagent Grade ? General reagent-grade purity suitable for most laboratory work. Use as a dependable default when no specific higher grade is required.
Synonyms
[2,8-BIS(TRIFLUOROMETHYL)QUINOLIN-4-YL](PYRIDIN-2-YL)METHANOL | (RS)-(2,8-BIS(TRIFLUOROMETHYL)QUINOLIN-4-YL)(PYRIDIN-2-YL)METHANOL | AB22515 | .ALPHA.-2-PYRIDINYL-2,8-BIS(TRIFLUOROMETHYL)-4-QUINOLINEMETHANOL | SCHEMBL8941191 | MFCD05863552 | (2,8-Bis-trif
Storage
Room temperature
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Status
Price
Qty
1g
B479360-1g
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Why this grade

Reagent grade Reagent Grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

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

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Quality documents

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

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Literature proof

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

Specifications

Synonyms
[2, 8-BIS(TRIFLUOROMETHYL)QUINOLIN-4-YL](PYRIDIN-2-YL)METHANOL | (RS)-(2, 8-BIS(TRIFLUOROMETHYL)QUINOLIN-4-YL)(PYRIDIN-2-YL)METHANOL | AB22515 | .ALPHA.-2-PYRIDINYL-2, 8-BIS(TRIFLUOROMETHYL)-4-QUINOLINEMETHANOL | SCHEMBL8941191 | MFCD05863552 | (2, 8-Bis-trif
Specifications & Purity
Reagent grade
Legal Information
Product of BioBlocks
Storage
Room temperature
Grade
Reagent Grade
Names and Identifiers
Canonical SmilesC1=CC=NC(=C1)C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O
IUPAC Name[2,8-bis(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanol
InChIKeyLUDFDSXDVJABBT-UHFFFAOYSA-N
INCHI1S/C17H10F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h1-8,15,26H
Isomeric SMILES C1=CC=NC(=C1)C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O
WGK Germany 3
Molecular Weight 372.26
Reaxy-Rn 715074
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=715074&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassQuinolines and derivatives
Subclass4-quinolinemethanols
Intermediate Tree Nodes Not available
Direct Parent4-quinolinemethanols
Alternative Parents Pyridines and derivatives  Benzenoids  Heteroaromatic compounds  Secondary alcohols  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organofluorides  Hydrocarbon derivatives  Aromatic alcohols  Alkyl fluorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 4-quinolinemethanol - Pyridine - Benzenoid - Heteroaromatic compound - Secondary alcohol - Azacycle - Organopnictogen compound - Organic oxygen compound - Aromatic alcohol - Alcohol - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 4-quinolinemethanols. These are organoheterocyclic compounds containing a quinoline moiety substituted at the 4-position with a methanol.
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 Weight372.260 g/mol
XLogP33.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass372.07 Da
Monoisotopic Mass372.07 Da
Topological Polar Surface Area46.000 Ų
Heavy Atom Count26
Formal Charge0
Complexity483.000
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
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Solution Calculators
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