2,2,3,3-Tetrafluoropropyl 4-methylbenzenesulfonate - ≥99% , CAS No.786-31-2

CAS: 786-31-2 Cat. No.: T699705 Molecular Weight: 286.25 EC Number: 670-658-7 PubChem CID: 2060597
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
T699705-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$9.90
5g
T699705-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$29.90
25g
T699705-25g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$99.90
100g
T699705-100g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$279.90
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Argon charged Ships Wet ice 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
≥99%
Storage
Store at 2-8°C, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥99%
Names and Identifiers
Canonical SmilesCC1=CC=C(C=C1)S(=O)(=O)OCC(C(F)F)(F)F
IUPAC Name2,2,3,3-tetrafluoropropyl 4-methylbenzenesulfonate
InChIKeyIMDNPHAMGJIKNV-UHFFFAOYSA-N
INCHI1S/C10H10F4O3S/c1-7-2-4-8(5-3-7)18(15,16)17-6-10(13,14)9(11)12/h2-5,9H,6H2,1H3
Isomeric SMILES CC1=CC=C(C=C1)S(=O)(=O)OCC(C(F)F)(F)F
PubChem CID 2060597
Molecular Weight 286.25

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
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBenzenesulfonic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentBenzenesulfonate esters
Alternative Parents p-Methylbenzenesulfonates  Tosyl compounds  Benzenesulfonyl compounds  Arylsulfonic acids and derivatives  Organosulfonic acid esters  Sulfonyls  Organooxygen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Toluene - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Alkyl halide - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.
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:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot NumberCertificate TypeDateItem
F2609614Certificate of AnalysisMay 26, 2026 T699705
F2609615Certificate of AnalysisMay 26, 2026 T699705
F2609616Certificate of AnalysisMay 26, 2026 T699705
F2609617Certificate of AnalysisMay 26, 2026 T699705
Chemical and Physical Properties
Boil Point(°C)124/2mm
Melt Point(°C)13-16
Molecular Weight286.250 g/mol
XLogP33.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass286.029 Da
Monoisotopic Mass286.029 Da
Topological Polar Surface Area51.800 Ų
Heavy Atom Count18
Formal Charge0
Complexity356.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
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.