3,5-Dichlorothioanisole - ≥98% , CAS No.68121-46-0

CAS: 68121-46-0 Cat. No.: D101841 Summenformel: C7H6Cl2S Molekulargewicht: 193.09 Beilstein Registry Number: 6(4)1630 EG-Nummer: 620-750-8
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GRADE & PURITY ≥98%
Synonyms
3,5-Dichloro thioanisole | 3,5-Dichlorophenyl methyl sulfide | AKOS006222086 | 1-methylthio-3,5-dichlorobenzene | MFCD00870149 | 3,5-Dichlorothioanisole | 3,5-dichloro-thioanisole | Benzene, 1,3-dichloro-5-(methylthio)- | PSSCMQMQOXVMFG-UHFFFAOYSA-N | D90
Storage
Room temperature
Shipped In
Normal
★
Size
Deutschland (EU)
USA*
Price
Qty
1g
D101841-1g
—
3 Auf Lager

13,80€

20,74€
Speichern 6,94 € (33.47%)
5g
D101841-5g
—
2 Auf Lager

49,37€

74,54€
Speichern 25,16 € (33.76%)
25g
D101841-25g
—
1 Auf Lager

183,01€

274,99€
Speichern 91,98 € (33.45%)
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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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.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyme
3,5-Dichloro thioanisole | 3,5-Dichlorophenyl methyl sulfide | AKOS006222086 | 1-methylthio-3,5-dichlorobenzene | MFCD00870149 | 3,5-Dichlorothioanisole | 3,5-dichloro-thioanisole | Benzene, 1,3-dichloro-5-(methylthio)- | PSSCMQMQOXVMFG-UHFFFAOYSA-N | D90
Spezifikationen & Reinheit
≥98%
Storage
Room temperature
Verschickt in
Normal
Reinheit
≥98%
Namen und Kennungen
Pubchem Sid504756997
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504756997
Kanonisches LächelnCSC1=CC(=CC(=C1)Cl)Cl
IUPAC Name1,3-dichloro-5-methylsulfanylbenzene
InChIKeyPSSCMQMQOXVMFG-UHFFFAOYSA-N
INCHI1S/C7H6Cl2S/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
Isomere SMILES CSC1=CC(=CC(=C1)Cl)Cl
WGK Deutschland 3
Molekulargewicht 193.09
Beilstein 6(4)1630
Reaxy-Rn 3237462
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3237462&ln=

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
KlasseBenzene and substituted derivatives
SubclassHalobenzenes
Intermediate Tree Nodes Chlorobenzenes
Direct ParentDichlorobenzenes
Alternative Parents Thiophenol ethers  Alkylarylthioethers  Aryl chlorides  Sulfenyl compounds  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Aryl thioether - Thiophenol ether - 1,3-dichlorobenzene - Alkylarylthioether - Aryl halide - Aryl chloride - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organosulfur compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
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.

6 results found

Lot NumberCertificate TypeDatumArtikel
L2121516Certificate of AnalysisOct 11, 2025 D101841
L2121517Certificate of AnalysisOct 11, 2025 D101841
L2121562Certificate of AnalysisOct 11, 2025 D101841
E1321074Certificate of AnalysisJan 17, 2025 D101841
C1610172Certificate of AnalysisOct 08, 2023 D101841
E1905082Certificate of AnalysisMar 07, 2023 D101841
Chemische und physikalische Eigenschaften
Brechungsindex1.613
Siedepunkt (°C)262-263°C
Molekulargewicht193.090 g/mol
XLogP33.700
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass191.957 Da
Monoisotopic Mass191.957 Da
Topological Polar Surface Area25.300 Ų
Heavy Atom Count10
Formal Charge0
Complexity97.800
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
Lösungsrechner
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