Research chemical

Bromodifluoromethyl diethylphosphonate

CAS Number: 65094-22-6

Product details

Identity & specification

Molecular formula: C5H10BrF2O3P
Molecular weight: 267.01 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

144101

Exact Mass

265.9519

InChIKey

QRADKVYIJIAENZ-UHFFFAOYSA-N

IUPAC Name

1-[[bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethane

SMILES String

CCOP(=O)(C(F)(F)Br)OCC

Physical Properties

No physical property values available.

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XLogP

1.8

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

Computed Structure Descriptors

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Heavy atom count

H-bond acceptors

H-bond donors

Rotatable bonds

Ring count

Aromatic rings

Topological polar surface area

35.53 Å²

Computed LogP

3.2

Fragment-like structure rule

Yes

Lead-like structure rule

Yes

Drug-like structure rule

Yes

Structure family

phosphine ligand

Precious metal motif

Transition metal motif

Phosphine ligand motif

Yes

N-heterocycle motif

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

Bromodifluoromethyl diethylphosphonate (CAS 65094-22-6) is listed in the Advanced Chemicals portfolio, with molecular formula C5H10BrF2O3P and molecular weight 267. 01 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.

Documentation needs

SDS signal word: Warning; hazard codes: H315, H319, H335; For research use only.

Applications & Classification

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

Safety & Handling

Handling & Storage

Keep container tightly closed and dry.
Store in a well-ventilated place.
Recommended storage conditions: light-protected, inerted, room temperature.

First Aid

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

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Fire Fighting

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

Accidental Release

Use personal protective equipment and emergency procedures.
Avoid dust generation.

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

Diethyl (bromodifluoromethyl)phosphonatediethyl bromodifluoromethanephosphonatediethyl bromodifluoromethylphosphonateC5H10BrF2O3P(bromodifluoromethyl)phosphonic acid diethyl ester

Show all synonyms

1-[[bromo(difluoro)methyl]-ethoxy-phosphoryl]oxyethanediethyl(bromodifluoromethyl)phosphonate(bromo-difluoro-methyl)-phosphonic acid diethyl esterPhosphonic acid, (bromodifluoromethyl)-, diethyl esterdiethyl[bromo(difluoro)methyl]phosphonatediethyl [bromo(difluoro)methyl]phosphonateDiethyl [bromodi(fluoro)methyl]phosphonate(bromodifluoromethyl)diethoxyphosphino-1-oneD30711-[(bromo-difluoromethyl)-ethoxyphosphoryl]oxyethane

External Identifiers

EC NUMBER: 671-628-6DSSTOX SUBSTANCE ID: DTXSID40215398CHEMBL ID: CHEMBL5181377WIKIDATA ID: Q72469206

Experimental Spectrum References

13C NMR Spectra 19F NMR Spectra ATR-IR Spectra — Bio-Rad Laboratories, Inc.FTIR Spectra — Bio-Rad Laboratories, Inc.Raman Spectra — Bio-Rad Laboratories, Inc.

Literature & Patent References

DOI 10.1021/acs.jmedchem.2c00658Studying Lipophilicity Trends of Phosphorus Compounds by <sup>31</sup>P-NMR Spectroscopy: A Powerful Tool for the Design of P-Containing Drugs.PMID 35678759Studying Lipophilicity Trends of Phosphorus Compounds by <sup>31</sup>P-NMR Spectroscopy: A Powerful Tool for the Design of P-Containing Drugs.

Documentation & Compliance Facts

Compliance Facts

Signal word: Warning

Supplier SDS reference cue; confirm supplier documentation before use.

Hazard statements: H315, H319, H335

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

Precautionary statements: P261, P305+P351+P338

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 notes

Sourcing context and documentation notes

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MolGraph uses public price and availability evidence as a starting point, then confirms current stock, quotation, COA/SDS, lot specification, lead time, and shipment documentation before final acceptance.

Package and specification

Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.

Final lot confirmation

Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.

Supply documentation

Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.

Quotation review

Final quote depends on quantity, lead time, destination, and supplier confirmation.

Procurement questions

Is CAS 65094-22-6 in stock?

Bromodifluoromethyl diethylphosphonate is in stock. Estimated delivery: 5–9 business days. Submit an RFQ to confirm final price, lot specification, documentation, and destination-specific shipping terms.

How is the final price confirmed?

The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.

Can MolGraph provide COA or SDS for CAS 65094-22-6?

Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.