Propionyl bromide

Base Information

• Chemical Name: Propionyl bromide
• CAS No.: 598-22-1
• Molecular Formula: C3H5BrO
• Molecular Weight: 136.976
• Hs Code.: 29159000
• European Community (EC) Number: 209-924-0
• DSSTox Substance ID: DTXSID80208527
• Nikkaji Number: J134.406D
• Wikidata: Q72502459
• Mol file: 598-22-1.mol

Synonyms:Propionyl bromide;Propanoyl bromide;598-22-1;Propanoyl-bromide-;C3H5BrO;EINECS 209-924-0;propanyl bromide;Propionyl bromide, 97%;SCHEMBL35764;RIBFXMJCUYXJDZ-UHFFFAOYSA-;DTXSID80208527;BCP28227;BR1194;MFCD00000116;AKOS015839596;P0515;D91967

Chemical Property of Propionyl bromide

Chemical Property:

• Appearance/Colour: light yellow to brown liquid
• Vapor Pressure: 32.5mmHg at 25°C
• Melting Point: -40oC
• Refractive Index: n20/D 1.455(lit.)
• Boiling Point: 103.3 °C at 760 mmHg
• Flash Point: 52.2 °C
• PSA: 17.07000
• Density: 1.521 g/cm³
• LogP: 1.31790
• Storage Temp.: Flammables area
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 135.95238
• Heavy Atom Count: 5
• Complexity: 42.2

Purity/Quality:

98.5% ^*data from raw suppliers

Propionyl bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 10-14-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Acid Halides
• Canonical SMILES: CCC(=O)Br

Technology Process of Propionyl bromide

There total 5 articles about Propionyl bromide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 84.0%

propionic acid (802294-64-0,79-09-4) → propanoyl bromide (598-22-1)

Guidance literature:

With bromine; triphenylphosphine; In dichloromethane; for 0.25h; Ambient temperature;

Reference yield: 74.0%

propionyl chloride (79-03-8) → propanoyl bromide (598-22-1)

Guidance literature:

With trimethylsilyl bromide;

DOI:10.1055/s-1981-29390

Reference yield:

trimethylsilyl propionate (16844-98-7) → propanoyl bromide (598-22-1)

Guidance literature:

With dibromotriphenylphosphorane; In dichloromethane; for 0.166667h; Ambient temperature;

upstream raw materials:

propionic acid

trimethylsilyl propionate

propionyl chloride

propionyl radical

Downstream raw materials:

(3R,4R)-3-methyl-4-phenyloxetan-2-one

2-propionyl-1-naphthol

2-[2-Bromo-5-(propionylamino)phenyl]-4-[[2'-(N-t-butylsulfamoyl)-3-fluorobiphenyl-4-yl]methyl]-5-n-butyl-2,4-dihydro-3H-1,2,4-triazol-3-one

triethylpropionylgermane

Refernces

• 1、 Brown, Carl E.,Neville, Anthony G.,Rayner, David M.,Ingold, Keith U.,Lusztyk, Janusz. "Kinetic and Spectroscopic Studies on Acyl Radicals in Solution by Time-Resolved Infrared Spectroscopy". . p. 363 - 380. Retrieved 2007/10/02.
• 2、 McAdoo, David J.,Hudson, Charles E.. "Noncompeting Metastable Losses of Methyl and Ethylene from Gaseous Butanoic Acid Ions due to Isomerization Prior to Methyl Loss". . p. 7710 - 7713. Retrieved 2007/10/02.