1-Bromopropane

Base Information

• Chemical Name: 1-Bromopropane
• CAS No.: 106-94-5
• Molecular Formula: C3H7Br
• Molecular Weight: 122.993
• Hs Code.: 2903399090
• European Community (EC) Number: 203-445-0
• ICSC Number: 1332
• UN Number: 2344
• UNII: Y9746DNE68
• DSSTox Substance ID: DTXSID6021874
• Nikkaji Number: J4.039H
• Wikipedia: 1-Bromopropane
• Wikidata: Q161589
• ChEMBL ID: CHEMBL1230095
• Mol file: 106-94-5.mol

Synonyms:1-BP, propane;1-bromopropane;n-propylbromide;propyl bromide

Chemical Property of 1-Bromopropane

Chemical Property:

• Appearance/Colour: Colorless transparent liquid
• Vapor Pressure: 133mmHg at 25°C
• Melting Point: -110 °C
• Refractive Index: n20/D 1.434(lit.)
• Boiling Point: 71.7 °C at 760 mmHg
• Flash Point: 25.6 °C
• PSA: 0.00000
• Density: 1.348 g/cm³
• LogP: 1.79130
• Water Solubility.: 2.5 g/L (20℃)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 121.97311
• Heavy Atom Count: 4
• Complexity: 7.2
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): F,T
• Hazard Codes: F:Flammable;;
• Statements: R11:; R36/37/38:; R48/20:; R60:; R63:; R67:
• Safety Statements: S45:; S53:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Brominated Solvents
• Canonical SMILES: CCCBr
• Inhalation Risk: A harmful contamination of the air can be reached very quickly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes and respiratory tract. The substance may cause effects on the central nervous system. This may result in lowering of consciousness.
• Effects of Long Term Exposure: Animal tests show that this substance possibly causes toxicity to human reproduction or development.

Technology Process of 1-Bromopropane

There total 81 articles about 1-Bromopropane 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: 97.8%

propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) → propyl bromide (106-94-5) + isopropyl bromide (75-26-3)

Guidance literature:

With hydrogen bromide; oxygen; at 20 - 23 ℃; for 4.5h; under 1551.49 - 1603.2 Torr;

Reference yield: 91.7%

dipropyl phenylarsonate (53720-59-5) + benzyl bromide (100-39-0) → propan-1-ol (71-23-8) + propyl bromide (106-94-5) + C16H19AsO3 (75099-95-5)

Guidance literature:

at 150 ℃; for 1.5h;

Reference yield: 74.5%

propyl diphenylarsinate (59260-94-5) + benzyl bromide (100-39-0) → propan-1-ol (71-23-8) + benzyl diphenylarsinate (64448-09-5) + propyl bromide (106-94-5) + C19H17AsO (75099-94-4)

Guidance literature:

at 185 ℃; for 1.5h; Further byproducts given;

upstream raw materials:

propan-1-ol

tri-n-propylamine

bromocyane

propene

Downstream raw materials:

4-propyl-morpholine

N-propylpyridinium bromide

1-propyl-1H-imidazole

N-propylethane-1,2-diamine

Refernces

A 'one-pot' phase transfer alkylation/hydrolysis of o-nitrotrifluoroacetanilides. A convenient route to N-alkyl o-phenylenediamines

10.1080/00397919608003827

The research explores a novel synthetic method for producing N-alkyl o-phenylenediamines through a one-pot phase transfer alkylation and hydrolysis process. The study aims to develop a simple and efficient route for synthesizing these compounds, which are important intermediates in the preparation of isoalloxazines (flavins) and have potential applications in various chemical and pharmaceutical fields. The key chemicals used in this research include o-nitrotrifluoroacetanilides as the starting materials, dimethylsulfate, benzyl bromide, and 1-bromopropane as electrophiles, and tetrabutylammonium chloride or benzyltriethylammonium chloride as phase transfer catalysts. The process involves a one-pot reaction where the o-nitrotrifluoroacetanilides undergo alkylation followed by hydrolysis under phase transfer conditions, yielding N-alkyl o-nitroanilines in good to excellent yields. The study concludes that this method is superior to previous methods involving o-nitroacetanilides due to the increased reactivity and ease of preparation of the trifluoroacetanilides. The findings suggest that this one-pot synthesis provides a convenient and operationally simple approach for the preparation of N-alkyl o-phenylenediamines, which can be further reduced to the desired products.