potassium trifluoro[4-(methylsulfonyl)phenyl]borate(1-) - ≥98% , CAS No.850623-40-4

CAS: 850623-40-4 Cat. No.: P770613 Molecular Weight: 262.09 EC Number: 691-166-9 PubChem CID: 23716871
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
P770613-1g
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$39.90

$59.90
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5g
P770613-5g
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$120.90

$181.90
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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.

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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

Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Canonical Smiles[B-](C1=CC=C(C=C1)S(=O)(=O)C)(F)(F)F.[K+]
IUPAC Namepotassium;trifluoro-(4-methylsulfonylphenyl)boranuide
InChIKeyQOZWCMTYKAZMHD-UHFFFAOYSA-N
INCHI1S/C7H7BF3O2S.K/c1-14(12,13)7-4-2-6(3-5-7)8(9,10)11;/h2-5H,1H3;/q-1;+1
Isomeric SMILES [B-](C1=CC=C(C=C1)S(=O)(=O)C)(F)(F)F.[K+]
PubChem CID 23716871
Molecular Weight 262.09

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.

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🔬 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
SubclassBenzenesulfonyl compounds
Intermediate Tree Nodes Not available
Direct ParentBenzenesulfonyl compounds
Alternative Parents Sulfones  Boronic acid derivatives  Organic metalloid salts  Organic metal halides  Organometalloid compounds  Organic potassium salts  Organic oxides  Hydrocarbon derivatives  Organic cations  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Benzenesulfonyl group - Sulfone - Sulfonyl - Boronic acid derivative - Organic alkali metal salt - Organic metalloid salt - Organic metal halide - Organic oxygen compound - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organosulfur compound - Organic metalloid moeity - Organic oxide - Organic cation - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group.
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 Weight262.100 g/mol
XLogP3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass261.985 Da
Monoisotopic Mass261.985 Da
Topological Polar Surface Area42.500 Ų
Heavy Atom Count15
Formal Charge0
Complexity290.000
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 Count2
Solution Calculators
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