Research chemical

4-Bromo-3,5-dichlorophenylisothiocyanate

CAS Number: 1000574-23-1

Product details

Identity & specification

Molecular formula: C7H2BrCl2NS
Molecular weight: 282.97 g/mol
Product type: Research-use catalog compound
Documentation: COA / SDS available by request

For laboratory research and professional procurement workflows.

Technical identifiers

Show PubChem, InChIKey, IUPAC, and SMILES

PubChem CID

26599166

Exact Mass

280.84684

InChIKey

LPPRFSRJFKEVIK-UHFFFAOYSA-N

IUPAC Name

2-bromo-1,3-dichloro-5-isothiocyanatobenzene

SMILES String

S=C=Nc1cc(Cl)c(Br)c(Cl)c1

Physical Properties

No physical property values available.

Show more physical data

XLogP

5.3

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

Computed Structure Descriptors

Show calculated structure fields

Heavy atom count

H-bond acceptors

H-bond donors

Rotatable bonds

Ring count

Aromatic rings

Topological polar surface area

12.36 Å²

Computed LogP

4.49

Fragment-like structure rule

Yes

Lead-like structure rule

Drug-like structure rule

Yes

Structure family

n heterocycle ligand

Precious metal motif

Transition metal motif

Phosphine ligand motif

N-heterocycle motif

Yes

Boronic acid motif

Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.

Catalog Facts

Structural features

4-Bromo-3,5-dichlorophenylisothiocyanate (CAS 1000574-23-1) is an English MolGraph catalog reference, molecular formula C7H2BrCl2NS and molecular weight 282. 97 g/mol.

Sourcing context

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

Research use context

Use this page to review identity data, application tags, sourcing readiness, and RFQ context for heterocyclic building-block research, synthetic chemistry workflows, research chemical sourcing.

Documentation needs

Request supplier-issued SDS/COA before handling, storage, shipment, or procurement decisions. Public page content is for research catalog reference and does not replace supplier-issued safety documentation.

Applications & Classification

Synthetic Chemistry Heterocyclic Building Blocks Research Chemical SourcingResearch intermediateCustom synthesis building blockCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Safety & Handling

Handling & Storage

Store in a well-ventilated area.

PPE

Respiratory protection if needed

First Aid

Do not give anything to an unconscious person.
Rinse mouth with water.

Stability / Reactivity

and reaction activity.
carbon monoxide, carbon dioxide, hydrogen bromide, hydrogen chloride, nitrogen oxides, sulfur oxides.

Disposal

The remaining and non-recyclable solution should be handed over to a licensed company for disposal.
Contact a professional institution with a waste disposal license to handle this substance.

Show additional safety reference fields

Fire Fighting

Use self-contained breathing apparatus if necessary.

Accidental Release

Do not generate dust when collecting and disposing.
Sweep and shovel up.

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

Preliminary Safety Reference

For supplier-issued SDS or COA, submit a documentation request.

Safety Reference / SDS Request

Synonyms & references

Names & Synonyms

4-bromo-3,5-dichlorophenyl isothiocyanate2-bromo-1,3-dichloro-5-isothiocyanato-benzene

External Identifiers

PUBCHEM CID: 26599166

Documentation & Compliance Facts

Compliance Facts

Signal word: Danger

Supplier SDS reference cue; confirm supplier documentation before use.

Hazard statements: H315, H317, H319, H330, H334, H335, H351, H412

Supplier SDS hazard code reference; confirm full text in supplier documentation.

Precautionary statements: P201, P202, P260, P264, P271, P272, P273, P280, P284, P302+P352, P304+P340+P310, P305+P351+P338, P308+P313, P333+P313, P337+P313, P403+P233, P405, P501

Supplier SDS precautionary code reference; confirm full text in supplier documentation.

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

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

Text Reference Cues

Additional text reference cues are not available for this catalog entry.

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

Catalog navigation

Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.

Procurement questions

What are the key identifiers for 4-Bromo-3,5-dichlorophenylisothiocyanate (CAS 1000574-23-1)?

4-Bromo-3,5-dichlorophenylisothiocyanate is identified by CAS 1000574-23-1, with molecular formula C7H2BrCl2NS, molecular weight 282.97, InChIKey LPPRFSRJFKEVIK-UHFFFAOYSA-N.

Can I request a COA for CAS 1000574-23-1?

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

Can I request supplier SDS for 4-Bromo-3,5-dichlorophenylisothiocyanate?

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

Is CAS 1000574-23-1 available for quotation?

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

Can MolGraph support bulk sourcing or custom synthesis review?

Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.