benzyltriphenylphosphanium bromide

Basic Information

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CAS Number

1449-46-3

Molecular Formula

C25H22BrP

Molecular Weight

433.3 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Insecticides

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

295-298 °C

Boiling Point

°Cat760mmHg

Water Solubility

Soluble in water.

SMILES

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C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C25H22P.BrH/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;/h1-20H,21H2;1H/q+1;/p-1

InChIKey

WTEPWWCRWNCUNA-UHFFFAOYSA-M

LogP

2.18470

Complexity

347

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Hygroscopic

Synonyms & References

English

MFCD00031707
EINECS 215-908-4
SCHEMBL163158
Benzyl-Triphenyl-Phosphonium Bromide
AKOS001064828
NSC 54813
AMY42218
benzyl(triphenyl)phosphanium;bromide
ZU75GQ8UMZ
phenylmethyltriphenylphosphonium bromide
Z56762358
W-108144
A808297
Phosphonium, benzyltriphenyl- bromide
CS-W011620
FT-0604864
benzyl-triphenylphosphonium bromide
Benzyltriphenylphosphonium bromide
CHEMBL172390
Phenylmethyl-triphenylphosphonium bromide
C25H22BrP
F17169
DTXSID50932443
B-2025
WTEPWWCRWNCUNA-UHFFFAOYSA-M
Triphenyl(phenylmethyl)phosphonium bromide
B2025
Benzyl triphenyl phosphonium bromide
NSC54813
Bromo(benzyl)triphenylphosphorane
NSC-54813

MDL Number

MFCD00031707

Customs Code

2931900090

FAQ

What is benzyltriphenylphosphanium bromide (CAS: 1449-46-3)?

Benzyltriphenylphosphanium bromide (CAS: 1449-46-3) is an organophosphorus compound with the chemical formula C29H27BrP. It is a quaternary phosphonium salt characterized by its stability in organic solvents and role as a versatile catalyst in chemical reactions. The compound is commonly used in synthetic chemistry due to its ability to facilitate various reactions, including coupling processes and functional group transformations.

What are the main uses of benzyltriphenylphosphanium bromide (CAS: 1449-46-3)?

Benzyltriphenylphosphanium bromide (CAS: 1449-46-3) is primarily employed in pharmaceuticals for drug synthesis, in industrial processes as a catalyst, and in research for organic reactions. It is particularly valuable in coupling reactions such as the Suzuki and Heck reactions, aiding in the production of complex molecules. Its applications also extend to polymer science and as a ligand in transition metal catalysis.

Is benzyltriphenylphosphanium bromide (CAS: 1449-46-3) safe?

Benzyltriphenylphosphanium bromide (CAS: 1449-46-3) is generally considered safe when handled properly. However, it may cause mild irritation to the skin and eyes, and inhalation should be avoided. Safety measures include using personal protective equipment (PPE), ensuring adequate ventilation, and following standard laboratory protocols. It is classified as a hazardous substance under certain regulations, requiring careful storage and disposal.

How should benzyltriphenylphosphanium bromide (CAS: 1449-46-3) be stored?

Benzyltriphenylphosphanium bromide (CAS: 1449-46-3) should be stored in a cool, dry place, away from light and moisture. It is typically kept in sealed, airtight containers under an inert atmosphere (e.g., nitrogen) to maintain stability. Proper storage conditions prevent degradation and ensure safety, with temperature control below 25°C and humidity levels below 60% recommended.