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3-(trifluoromethylthio)benzoic acid

CAS 946-65-6C8H5F3O2SMW 222.19

3-(trifluoromethylthio)benzoic acid (CAS No. 946-65-6) is supplied by Jinan Shenghe Chemical Co., Ltd. with a typical purity of 按批次COA提供(不公开发布). Main applications include Organic Chemicals. Bulk quantities are available with COA; purity and packaging are subject to batch COA and order confirmation.

Product Overview

CAS Number946-65-6
Molecular FormulaC8H5F3O2S
Molecular Weight222.19
LogP3.2
Purity按批次COA提供(不公开发布)
Packaging按订单/批次确认(不公开发布)
ApplicationsOrganic Chemicals
CategoryOrganic Chemicals

Applications

Organic Chemicals

Packaging & Storage

Packaging按订单/批次确认(不公开发布)
Purity按批次COA提供(不公开发布)
StorageSealed, cool and dry place
ShippingStandard chemical transport
SampleAvailable on request
Lead TimeIn stock / per order

Quality & Documentation

COA (Certificate of Analysis) is provided with every batch. MSDS/technical data sheets and third-party test reports are available on request. Purity and packaging are subject to batch COA and order confirmation.

Frequently Asked Questions

What is the CAS number of 3-(trifluoromethylthio)benzoic acid?

The CAS number of 3-(trifluoromethylthio)benzoic acid is 946-65-6.

What purity and packaging are available?

Typical purity is 按批次COA提供(不公开发布), supplied in 按订单/批次确认(不公开发布), with COA provided.

What are the applications of 3-(trifluoromethylthio)benzoic acid?

Main applications include Organic Chemicals.

How do I buy 3-(trifluoromethylthio)benzoic acid or get a quote?

Email info@591daili.com or reach us on WhatsApp with the product name, CAS number and required quantity; quotes within one business day. Supplier: Jinan Shenghe Chemical Co., Ltd..

PubChem Public Data

Description

3-(trifluoromethylthio)benzoic acid · CAS 946-65-6 · C8H5F3O2S. UNII ST50825727. Ionization Efficiency: 1.28; Ionization Efficiency: 10.5; Ionization Efficiency: MeCN (80%).

Identification

CAS Registry Number946-65-6
PubChem CID688330
Molecular formulaC8H5F3O2S
IUPAC name3-(trifluoromethylsulfanyl)benzoic acid
UNII (FDA)ST50825727

Computed Descriptors

Molecular Weight222.19
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass221.99623506
Monoisotopic Mass221.99623506
Topological Polar Surface Area62.6
Heavy Atom Count14
Formal Charge0

Physical & Chemical Properties

Ionization Efficiency1.28
Ionization Efficiency10.5
Ionization EfficiencyMeCN (80%)

Physical description & handling notes

  • Negative
  • Agilent XCT
  • Electrospray ionization
  • ammonia (10nM)
  • DOI:10.1021/acs.analchem.7b00595

GHS Hazard Classification

Reported hazard statementsH315 (100%), H319 (100%), H335 (100%)

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Synonyms

3-(Trifluoromethylthio)benzoic acid; 946-65-6; DTXSID20350877; RefChem:276084; DTXCID60301944; 623-060-5; 3-((Trifluoromethyl)thio)benzoic acid; 3-[(trifluoromethyl)sulfanyl]benzoic acid; 3-(trifluoromethylsulfanyl)benzoic Acid; MFCD00236337; 3-[(Trifluoromethyl)sulphanyl]benzoic acid; 3-Trifluoromethylsulfanyl-benzoic acid; Benzoic acid, 3-[(trifluoromethyl)thio]-; rarechem al bo 0859; SCHEMBL879988; CHEMBL303005

Frequently Asked Questions

What are the CAS number and molecular formula of 3-(trifluoromethylthio)benzoic acid?

CAS 946-65-6; molecular formula C8H5F3O2S; molecular weight — g/mol.

What other names is 3-(trifluoromethylthio)benzoic acid known by?

3-(Trifluoromethylthio)benzoic acid, 946-65-6, DTXSID20350877, RefChem:276084, DTXCID60301944, 623-060-5.

Is 3-(trifluoromethylthio)benzoic acid classified as hazardous?

Hazard statements reported: H315, H319, H335.

What are the key physical properties of 3-(trifluoromethylthio)benzoic acid?

Ionization Efficiency: 1.28; Ionization Efficiency: 10.5; Ionization Efficiency: MeCN (80%).

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.

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