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3-Cyanobenzylzinc bromide solution

CAS 117269-72-4NCC6H4CH2ZnBrChemical Synthesis

3-Cyanobenzylzinc bromide solution (CAS: 117269-72-4) is an organozinc halide reagent with the linear formula NCC extsubscript{6} extsubscript{4}CH extsubscript{2}ZnBr and a molecular weight of 261.43. Supplied as a 0.5 M solution in THF, this compound is flammable and may form explosive peroxides. It is primarily utilised in organic synthesis for coupling reactions and introducing the 3-cyanobenzyl group into various molecules.

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3-Cyanobenzylzinc bromide solution (NCC6H4CH2ZnBr) — chemical structure, CAS 117269-72-4; Chemistry, fine chemical supplied by Tech Serve Solutions
AlkylChemical SynthesisOrganometallic ReagentsOrganozinc Halides
01 /Applications

Organic Synthesis

3-Cyanobenzylzinc bromide solution serves as a versatile reagent in organic synthesis, particularly for cross-coupling reactions. It enables the efficient introduction of the 3-cyanobenzyl moiety into complex organic structures.

Pharmaceutical Intermediates

This organozinc reagent can be employed in the multi-step synthesis of pharmaceutical intermediates. Its reactivity allows for the construction of specific carbon-carbon bonds essential in drug discovery and development.

Fine Chemical Production

Used in the preparation of fine chemicals, 3-Cyanobenzylzinc bromide solution facilitates the synthesis of specialised organic compounds. Its application is key in creating molecules with desired functional groups and structural properties.

02 /Properties
Molecular weight261.43
Linear formulaNCC6H4CH2ZnBr
Density0.966 g/mL at 25 °C
Concentration0.5 M in THF
Storage temperature2-8°C
03 /Safety & handling
GHS hazard pictogram: Flammable (GHS02)
Flammable
GHS hazard pictogram: Harmful / irritant (GHS07)
Harmful / irritant
GHS hazard pictogram: Health hazard (GHS08)
Health hazard
Danger

Hazard statements

  • H225Highly flammable liquid and vapour
  • H319Causes serious eye irritation
  • H335May cause respiratory irritation
  • H351Suspected of causing cancer

Precautionary statements

  • P210Keep away from heat, sparks and open flames. No smoking
  • P261Avoid breathing dust, fume, gas or vapours
  • P281Use personal protective equipment as required
  • P305IF IN EYES
Flash point-17 °C / 1.4 °F
Transport (UN / ADR)UN 2924 8(3) / PGII
Water hazard class (WGK, DE)3
Hazard codes (EU)F,Xn
Risk statements (R)11-14-19-36/37-40
Safety statements (S)16-26-36/37
Supplemental hazardsMay form explosive peroxides.

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry
CAS number
117269-72-4
MDL number
MFCD01311398
PubChem substance
24873946
05 /Quality & supply

Documentation

Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.

Supply & logistics

Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.

06 /Frequently asked questions

What is 3-Cyanobenzylzinc bromide solution used for?

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3-Cyanobenzylzinc bromide solution is used in organic synthesis for reactions such as cross-coupling, allowing for the introduction of the 3-cyanobenzyl group into various molecular structures, including pharmaceutical intermediates and fine chemicals.

What is the CAS number and formula for 3-Cyanobenzylzinc bromide solution?

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The CAS number for 3-Cyanobenzylzinc bromide solution is 117269-72-4. Its linear formula is NCC extsubscript{6} extsubscript{4}CH extsubscript{2}ZnBr.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies 3-Cyanobenzylzinc bromide solution at a concentration of 0.5 M in THF. We do not represent this product as USP, BP, or EP grade.

How should 3-Cyanobenzylzinc bromide solution be handled safely?

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3-Cyanobenzylzinc bromide solution is a Danger hazard. It is highly flammable (H225), causes serious eye irritation (H319), and may cause respiratory irritation (H335). It is also suspected of causing cancer (H351). It may form explosive peroxides. Handle in a well-ventilated area, away from ignition sources, wearing appropriate personal protective equipment.

Is 3-Cyanobenzylzinc bromide solution a controlled substance?

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The provided data does not indicate that 3-Cyanobenzylzinc bromide solution is a controlled substance.

How is 3-Cyanobenzylzinc bromide solution shipped and exported?

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3-Cyanobenzylzinc bromide solution is shipped and exported under UN 2924, Hazard Class 8 (3), Packing Group II, requiring specialised handling due to its flammability and corrosive potential.

How can I request a quote or sample?

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To request a quote or a sample of 3-Cyanobenzylzinc bromide solution, please contact our sales team through the website or by phone.

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