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2-Chlorophenyl Trifluoromethanesulfonate - >97.0%(GC), high purity , CAS No.66107-36-6

1 Citations

COA

Grade & Purity:

≥97%(GC)

Cas Number: 66107-36-6
Molecular Weight: 260.61
MDL number: MFCD07784322
PubChem CID: 581421
PubChem SID: 504759353

In stock

Item Number

C153862

Grouped product items
SKU	Size	Availability	Price	Qty
C153862-1g	1g	4	$63.90
C153862-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$244.90

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Element classified compounds (2014) Non heterocyclic fluorine-containing block (1408)

Basic Description

Synonyms	2-Chlorophenyl trifluoromethanesulfonate \| Trifluoromethanesulfonic Acid 2-Chlorophenyl Ester \| 2-Chlorophenyl Triflate \| 2-Chlorophenyltrifluoromethanesulfonate \| (2-chlorophenyl) trifluoromethanesulfonate \| SCHEMBL5599422 \| MFCD07784322 \| T71189 \| C2326
Specifications & Purity	≥97%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenoxy compounds

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenoxy compounds
Intermediate Tree Nodes	Not available
Direct Parent	Phenoxy compounds
Alternative Parents	Trifluoromethanesulfonates Chlorobenzenes Sulfonic acid esters Organosulfonic acid esters Aryl chlorides Sulfonyls Methanesulfonates Trihalomethanes Organooxygen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Trifluoromethanesulfonate - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organosulfonic acid ester - Sulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methanesulfonate - Trihalomethane - Alkyl fluoride - Organooxygen compound - Organofluoride - Organochloride - Organohalogen compound - Organosulfur compound - Hydrocarbon derivative - Halomethane - Organic oxide - Organic oxygen compound - Alkyl halide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504759353
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504759353
IUPAC Name	(2-chlorophenyl) trifluoromethanesulfonate
INCHI	InChI=1S/C7H4ClF3O3S/c8-5-3-1-2-4-6(5)14-15(12,13)7(9,10)11/h1-4H
InChIKey	KTLNEJOQAOFUTO-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)OS(=O)(=O)C(F)(F)F)Cl
Isomeric SMILES	C1=CC=C(C(=C1)OS(=O)(=O)C(F)(F)F)Cl
Molecular Weight	260.61
Reaxy-Rn	2282968
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2282968&ln=

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.

2 results found

Lot Number	Certificate Type	Date	Item
I2206473	Certificate of Analysis	Jun 28, 2022	C153862
I2206476	Certificate of Analysis	Jun 28, 2022	C153862

Chemical and Physical Properties

Refractive Index	1.46
Boil Point(°C)	120°C/33mmHg(lit.)
Molecular Weight	260.620 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	259.952 Da
Monoisotopic Mass	259.952 Da
Topological Polar Surface Area	51.800 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	308.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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