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Home/Compounds/CAS 3958-60-9
Formula C7H6BrNO2MW 216.03Research-use catalog entryCOA/SDS by request

alpha-Bromo-2-nitrotoluene

CAS Number: 3958-60-9

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Loading RDKit molecule structure...
InChIKey: HXBMIQJOSHZCFX-UHFFFAOYSA-NC7H6BrNO2 | MW 216.03

Chemical Absolute Identifiers

CAS Number

3958-60-9

PubChem CID

77569

Molecular Formula

C7H6BrNO2

Molecular Weight

216.03 g/mol

Exact Mass

214.95819

InChIKey

HXBMIQJOSHZCFX-UHFFFAOYSA-N

IUPAC Name

1-(bromomethyl)-2-nitrobenzene

SMILES String

C1=CC=C(C(=C1)CBr)[N+](=O)[O-]

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

alpha-Bromo-2-nitrotoluene (CAS 3958-60-9) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C7H6BrNO2 and molecular weight 216. 03 g/mol.

Sourcing context

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

Research use context

Intended for research-stage medicinal chemistry and intermediate synthesis 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

Pharmaceutical Intermediate ResearchResearch intermediateCustom synthesis building blockPharmaceutical intermediate researchResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Safety & Handling

PPE

Respiratory protection if needed

First Aid

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

Stability / Reactivity

  • Reactivity.

Disposal

  • Dispose of remaining and non-recyclable solutions to a licensed company.
  • Contact a professional organization with a waste disposal license to handle this substance.
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Accidental Release

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  • Avoid dust generation.

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Preliminary Safety Reference

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Safety Reference / SDS Request

Names & Synonyms / External Identifiers

Chemical Name

alpha-Bromo-2-nitrotoluene

Names & Synonyms

2-Nitrobenzyl bromideo-Nitrobenzyl bromide1-(Bromomethyl)-2-nitro-benzeneBenzene, 1-(bromomethyl)-2-nitro-CCRIS 7966
Show all synonyms
InChI=1/C7H6BrNO2/c8-5-6-3-1-2-4-7(6)9(10)11/h1-4H,5H2-Nitrobenzylbromide2-(Bromomethyl)nitrobenzeneBenzene, bromomethylnitro-1-Bromomethyl-2-nitrobenzene2-nitro benzyl bromide2-nitro-benzyl bromideo-nitrobenzylbromideortho-nitrobenzylbromidea-Bromo-2-nitrotoluene2-bromomethyl-nitrobenzene1-Bromomethyl-2-nitro-benzene2-(bromomethyl)-1-nitrobenzene1-(Bromomethyl)-2-nitrobenzene #
External Identifiers
EC NUMBER: 223-558-9DSSTOX SUBSTANCE ID: DTXSID80192699CHEMBL ID: CHEMBL172430WIKIDATA ID: Q72494473
Experimental Spectrum References
13C NMR Spectra1D NMR Spectra1H NMR SpectraATR-IR SpectraFTIR SpectraRaman Spectra — Bio-Rad Laboratories, Inc.UV-VIS Spectra
Literature & Patent References
DOI 10.1021/jm00182a027Nitrobenzyl halides and carbamates as prototype bioreductive alkylating agents.PMID 7190617Nitrobenzyl halides and carbamates as prototype bioreductive alkylating agents.

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

1-(2-nitrobenzyl)-1H-pyrrole-2-carbaldehydeCAS 22162-51-2
Methyl 2-chloro-4-nitrobenzoateCAS 13324-11-3

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 22162-51-21-(2-nitrobenzyl)-1H-pyrrole-2-carbaldehydeCAS 631-61-8Ammonium AcetateCAS 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 acidCAS 1018144-00-72-(3-Cyclopropyl-6-isopropyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

RFQ questions for CAS 3958-60-9

What are the key identifiers for alpha-Bromo-2-nitrotoluene (CAS 3958-60-9)?

alpha-Bromo-2-nitrotoluene is identified by CAS 3958-60-9, with molecular formula C7H6BrNO2, molecular weight 216.03, InChIKey HXBMIQJOSHZCFX-UHFFFAOYSA-N.

Can I request a COA for CAS 3958-60-9?

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

Can I request supplier SDS for alpha-Bromo-2-nitrotoluene?

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

Is CAS 3958-60-9 available for quotation?

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

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