3-(Bicyclo[2.2.1]hept-5-EN-2-YL)-1,1,1-trifluoro-2-(trifluoromethyl)propan-2-OL - ≥98% , CAS No.196314-61-1

CAS: 196314-61-1 Cat. No.: B1348467 Molecular Weight: 274.21 PubChem CID: 21360390
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
B1348467-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$51.90
1g
B1348467-1g
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$151.90
25g
B1348467-25g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$471.90
100g
B1348467-100g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,311.90
250g
B1348467-250g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$2,563.90
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Why this grade

≥98% 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

Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Canonical SmilesC1C2CC(C1C=C2)CC(C(F)(F)F)(C(F)(F)F)O
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
InChIKeyNIQLOLNJWXWZHX-UHFFFAOYSA-N
INCHI1S/C11H12F6O/c12-10(13,14)9(18,11(15,16)17)5-8-4-6-1-2-7(8)3-6/h1-2,6-8,18H,3-5H2
Isomeric SMILES C1C2CC(C1C=C2)CC(C(F)(F)F)(C(F)(F)F)O
PubChem CID 21360390
Molecular Weight 274.21

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 Not available
Direct ParentTertiary alcohols
Alternative Parents Fluorohydrins  Organofluorides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAliphatic homopolycyclic compounds
Substituents Tertiary alcohol - Halohydrin - Fluorohydrin - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic homopolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).
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 Weight274.200 g/mol
XLogP33.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass274.079 Da
Monoisotopic Mass274.079 Da
Topological Polar Surface Area20.200 Ų
Heavy Atom Count18
Formal Charge0
Complexity342.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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