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Home/Compounds/CAS 18967-42-5
Formula C8H5Cl2NSMW 218.1Research-use catalog entryCOA/SDS by request

3,4-Dichlorobenzyl isothiocyanate

CAS Number: 18967-42-5

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Available options

Available Options

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Purity
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Loading RDKit molecule structure...
InChIKey: DPSSHXWTNIGVMQ-UHFFFAOYSA-NC8H5Cl2NS | MW 218.1

Chemical Absolute Identifiers

CAS Number

18967-42-5

PubChem CID

29350

Molecular Formula

C8H5Cl2NS

Molecular Weight

218.1 g/mol

Exact Mass

216.951976

InChIKey

DPSSHXWTNIGVMQ-UHFFFAOYSA-N

IUPAC Name

1,2-dichloro-4-(isothiocyanatomethyl)benzene

SMILES String

C1=CC(=C(C=C1CN=C=S)Cl)Cl

Physical Properties

No physical property values available.

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Catalog Facts

Structural features

3,4-Dichlorobenzyl isothiocyanate (CAS 18967-42-5) is listed in the Advanced Chemicals portfolio, with molecular formula C8H5Cl2NS and molecular weight 218. 10 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.

Applications & Classification

Organic Building BlocksSynthetic ChemistryResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Safety & Handling

Handling & Storage

  • Including any incompatibility.
  • Close tightly.
  • Store in a well-ventilated area.

PPE

Respiratory protection if needed

First Aid

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  • Rinse mouth with water.

Stability / Reactivity

  • Reactivity and stability.
  • Carbon monoxide, carbon dioxide, hydrogen chloride, nitrogen oxides, sulfur oxides.

Disposal

  • Waste product: Dispose of remaining and non-recyclable solutions to a licensed company.
  • Contact a professional agency with a waste disposal license to handle this substance.
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Fire Fighting

  • If necessary, wear a self-contained breathing apparatus for firefighting.

Accidental Release

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  • Sweep and shovel up.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

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Names & Synonyms / External Identifiers

Chemical Name

3,4-Dichlorobenzyl isothiocyanate

Names & Synonyms

Benzene, 1,2-dichloro-4-(isothiocyanatomethyl)-ISOTHIOCYANIC ACID, (3,4-DICHLOROBENZYL) ESTER4-12-00-02393 (Beilstein Handbook Reference)Benzene, 1,2-dichloro-4-(isothiocyanatomethyl)-(9CI)3,4-DICHLOROBENZylisoTHIOCYANATE
Show all synonyms
3,4-Dichloro-(isothiocyanatomethyl)-benzene(3,4-dichlorophenyl)methanisothiocyanateIsothiocyanic acid,4-dichlorobenzyl) esterBenzene,2-dichloro-4-(isothiocyanatomethyl)-1,2-Dichloro-4-(isothiocyanatomethyl)benzene #
External Identifiers
EC NUMBER: 673-973-8DSSTOX SUBSTANCE ID: DTXSID20172379UNII: KF6B7CSR5NWIKIDATA ID: Q83042479
Experimental Spectrum References
13C NMR SpectraVapor Phase IR Spectra

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference

What happens after RFQ

  1. 1We review the CAS identity, quantity, and documentation request.
  2. 2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
  3. 3We review destination and shipment documentation needs when applicable.
  4. 4We follow up with a quotation or clarification request.

Text Reference Cues

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Non-public related references

p-Fluorobenzyl isothiocyanateCAS 2740-88-7
Benzyl IsothiocyanateCAS 622-78-6
3-Fluorobenzyl isothiocyanateCAS 63351-94-0
4-Methoxybenzyl isothiocyanateCAS 3694-57-3
1,2-Dichloro-4-isothiocyanatobenzeneCAS 6590-94-9

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Related Catalog Entries

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

CAS 2740-88-7p-Fluorobenzyl isothiocyanateCAS 622-78-6Benzyl IsothiocyanateCAS 63351-94-03-Fluorobenzyl isothiocyanateCAS 3694-57-34-Methoxybenzyl isothiocyanateCAS 6590-94-91,2-Dichloro-4-isothiocyanatobenzeneCAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamateCAS 1005174-17-3(E)-3-(2-Propyl-6-(trifluoromethyl)pyridin-3-yl)acrylic acidCAS 1018125-49-92-(3-Cyclopropyl-6-ethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acidCAS 1018128-07-8Isopropyl 4-chloro-2-methylquinoline-6-carboxylateCAS 1018142-22-76-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

RFQ questions for CAS 18967-42-5

What are the key identifiers for 3,4-Dichlorobenzyl isothiocyanate (CAS 18967-42-5)?

3,4-Dichlorobenzyl isothiocyanate is identified by CAS 18967-42-5, with molecular formula C8H5Cl2NS, molecular weight 218.1, InChIKey DPSSHXWTNIGVMQ-UHFFFAOYSA-N.

Can I request a COA for CAS 18967-42-5?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for 3,4-Dichlorobenzyl isothiocyanate?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 18967-42-5 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

Can MolGraph support bulk sourcing or custom synthesis review?

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