1,1,1-trifluorobut-3-en-2-ol - ≥97% , CAS No.666-33-1

CAS: 666-33-1 Cat. No.: T634330 Molecular Weight: 126.08 PubChem CID: 13262956
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
3-Buten-2-ol, 1,1,1-trifluoro- | MFCD22053431 | SY323405 | AKOS026733884 | F89492 | 4,4,4-trifluorobut-1-en-3-ol | PS-19005 | DTXSID80532879 | 1,1,1-Trifluorobut-3-en-2-ol | SCHEMBL2382492
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
100mg
T634330-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$181.90
250mg
T634330-250mg
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$290.90
500mg
T634330-500mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$484.90
1g
T634330-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$726.90
5g
T634330-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$3,630.90
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Why this grade

≥97% 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-Buten-2-ol, 1, 1, 1-trifluoro- | MFCD22053431 | SY323405 | AKOS026733884 | F89492 | 4, 4, 4-trifluorobut-1-en-3-ol | PS-19005 | DTXSID80532879 | 1, 1, 1-Trifluorobut-3-en-2-ol | SCHEMBL2382492
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Canonical SmilesC=CC(C(F)(F)F)O
IUPAC Name1,1,1-trifluorobut-3-en-2-ol
InChIKeyWYTUDWNSOPEAIA-UHFFFAOYSA-N
INCHI1S/C4H5F3O/c1-2-3(8)4(5,6)7/h2-3,8H,1H2
Isomeric SMILES C=CC(C(F)(F)F)O
Alternate CAS 666-33-1
PubChem CID 13262956
Molecular Weight 126.08

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
SuperclassOrganohalogen compounds
ClassHalohydrins
SubclassFluorohydrins
Intermediate Tree Nodes Not available
Direct ParentFluorohydrins
Alternative Parents Secondary alcohols  Organofluorides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAliphatic acyclic compounds
Substituents Secondary alcohol - Fluorohydrin - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Alkyl halide - Alkyl fluoride - Alcohol - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as fluorohydrins. These are alcohols substituted by a fluorine atom at a saturated carbon atom otherwise bearing only hydrogen or hydrocarbyl groups.
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 Weight126.080 g/mol
XLogP31.300
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass126.029 Da
Monoisotopic Mass126.029 Da
Topological Polar Surface Area20.200 Ų
Heavy Atom Count8
Formal Charge0
Complexity85.800
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
Solution Calculators
Reviews

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