106-94-5

Usage

Uses

Used in Industrial Processes:
1-Bromopropane is used as a solvent and cleaning agent for metal cleaning, electronics manufacturing, and pharmaceutical production. Its ability to dissolve a wide range of substances makes it a valuable component in these industries.
Used in Pharmaceutical Synthesis:
1-Bromopropane is used as an intermediate in the synthesis of pharmaceuticals. Its reactivity and compatibility with various chemical reactions contribute to the production of important medications.
Used in Agrochemical Synthesis:
1-Bromopropane is also utilized as an intermediate in the synthesis of agrochemicals, which are essential for the development of effective pesticides and other agricultural products.
However, it is important to note that 1-bromopropane is classified as a hazardous chemical due to its potential for causing damage to the nervous system, as well as concerns about its reproductive and developmental toxicity. Therefore, exposure to 1-bromopropane should be minimized, and proper safety precautions should be implemented when handling this chemical to protect workers and the environment from its harmful effects.

InChI:InChI=1/C3H7Br/c1-2-3-4/h2-3H2,1H3

Upstream product

• 71-23-8 propan-1-ol 
• 102-69-2 tri-n-propylamine 
• 506-68-3 bromocyane 
• 187737-37-7 propene 
• 1613-46-3 butyl propyl sulfide 
• 74-98-6 propane 
• 10557-57-0 propylmagnesium iodide 
• 109-64-8 1,3-dibromo-propane 
• 75-26-3 isopropyl bromide 
• 110-52-1 1,4-dibromo-butane 
• 34557-54-5 methane 
• 14604-48-9 vinyl cation 
• 109-65-9 1-bromo-butane 
• 540-54-5 1-Chloropropane 

Downstream Products

• 23949-50-0 4-propyl-morpholine 
• 873-71-2 N-propylpyridinium bromide 
• 35203-44-2 1-propyl-1H-imidazole 
• 111-39-7 N-propylethane-1,2-diamine 
• 5058-19-5 2-butylpyridine 
• 1551-27-5 2-propylthiophene 
• 14773-53-6 3-propoxypyridine 
• 109126-33-2 3-hydroxy-1-propyl-pyridinium; picrate 
• 6294-92-4 1-n-propylquinolin-1-ium bromide 
• 141666-50-4 3-propyl-oxazolidine-2,4-dione 
• 19921-88-1 n-propylthio-1,3,4-thiadiazole-5(4H)-thione 
• 27410-43-1 2-propylsulfanyl-benzothiazole 
• 55901-21-8 1H-benzimidazol-2-yl propyl sulfide 
• 7454-99-1 6-methyl-3-propyluracil 

Related news

28-Day somatic gene mutation study of 1-Bromopropane (cas 106-94-5) in female Big Blue® B6C3F1 mice via whole-body inhalation: Support for a carcinogenic threshold08/18/2019

A 2-year inhalation rat and mouse cancer study by the National Toxicology Program (NTP) on 1-bromopropane, a brominated solvent most commonly used as a vapor degreaser, showed significant increase in tumors in the lung of female mice and in the large intestine of male and female rats. The most s...detailed

Relevant academic research and scientific papers

The IR Photochemistry of Organic Compounds. II. The IR Photochemistry of Ethers: The Decomposition Patterns

The infrared multiple-photon decomposition (IRMPD) of saturated open-chain ethers has been systematically investigated with the intention of establishing their decomposition patterns.The main products in the IRMPD of ethers (1a-f, 2) are H2CO, CO, H2, and lower hydrocarbons.Acetaldehyde is additionally formed in the IRMPD of 1b and 1d, while acetone is formed in the IRMPD of 1d.The observed results are explained on the basis of the decomposition of the highly vibrationally excited ethers produced in the IRMPD excitation.The initial process is the homolytic cleavage of a C-O bond to yield the corresponding alkyl and alkoxyl radicals.The alkyl radicals are trapped ny Br2.Sequential splitting and addition reactions of the radicals yield primary products with a high internal energy.The primary products also decompose sequentially into stable products, in part.The sequential processes compete with collisional deactivation.Therefore, the branching ratio depends on the internal energy of the radicals and the primary products.

REACTIVITY OF ION PAIR AGGREGATES

The kinetics of n-propyl iodide with tetrabutylammonium bromide exhibits that the ion pair aggregates are active nucleophiles and the reactivity may increase with increase in aggregation number.

THE rs STRUCTURES OF PROPYL FLUORIDE AND DIFFERENCES IN STRUCTURES BETWEEN ROTATIONAL ISOMERS

Microwave spectra of trans and gauche propyl fluoride and its isotopically substituted species have been measured.The rs structures of the trans and gauche isomers of this molecule are determined from the observed moments of inertia.It is found that the CCC angle values are largely different between two isomers, while the CCF angle values stay unchanged.The rs structures of ethyl fluorosilane and ethylmethyl sulfide are re-examined in order to compare the results with those of propyl fluoride.The differences in the structural parameter values between the rotational isomers are discussed for the present molecules and the analogous molecules such as ethanethiol and ethaneselenol.

Kinetics and thermochemistry of the R + HBr ? RH + Br (R = n-C3H7, isoC3H7, n-C4H9, isoC4H9, sec-C4H9 or tert-C4H9) equilibrium

The kinetics of the reactions of n-C3H7, isoC3H7, n-C4H9, isoC4H9, sec-C4H9 and tert-C4H9 radicals, R, with HBr have been investigated in a beatable tubular reactor coupled to a photoionization mass spectrometer. The reactions were studied by a time-resolved technique under pseudo-first-order conditions, where the rate constants of R + HBr reactions were obtained by monitoring the decay of the radical as a function of time. The radical was photogenerated in situ in the flow reactor by pulsed 248 nm exciplex laser radiation. All six reactions were studied separately over a wide range of temperatures and, in these temperature ranges, the rate constants determined were fitted to an Arrhenius expression (error limits stated are 1σ + Students t values, units cm3 molecule-1 s-1): k(n-C3H7) = (1.6 ± 0.2) × 10-12 exp[+(5.4 ± 0.2) kJ mol-1/RT], k(isoC3H7) = (1.4 ± 0.2) × 10-12 exp[+(6.9 ± 0.2) kJ mol-1/RT], k(n-C4H9) = (1.3 ± 0.2) × 10-12 exp[+(6.4 ± 0.4) kJ mol-1/RT], k(isoC4H9) = (1.4 ± 0.2) × 10-12 exp[+(6.1 ± 0.2) kJ mol-1/RT], k(sec-C4H9) = (1.4 ± 0.3) × 10-12 exp[+(7.5 ± 0.3) kJ mol-1/RT] and k(tert-C4H9) = (1.2 ± 0.3) × 10-12 exp[+(8.3 ± 0.3) kJ mol-1/RT]. The kinetic information was combined with the kinetics of the Br + RH reactions to calculate the entropy and the heat of formation values for the radicals studied. The thermodynamic values were obtained at 298 K using a second-law procedure. The entropy values and enthalpies of formation are (entropy in J K-1 mol-1 and enthalpy in kJ mol-1): 284 ± 5, 100.8 ± 2.1 (n-C3H7); 281 ± 5, 86.6 ± 2.0 (isoC3H7); 329 ± 5, 80.9 ± 2.2 (n-C4H9); 316 ± 5, 72.7 ± 2.2 (isoC4H9); 330 ± 5, 66.7 ± 2.1 (sec-C4H9) and 315 ± 4, 51.8 ± 1.3 (tert-C4H9). The C-H bond strength of analogous saturated hydrocarbons derived from the enthalpy of reaction values are (in kJ mol-1): 423.3 ± 2.1 (primary C-H bond in propane), 409.1 ± 2.0 (secondary C-H bond in propane), 425.4 ± 2.1 (primary C-H bond in n-butane), 425.2 ± 2.1 (primary C-H bond in isobutane), 411.2 ± 2.0 (secondary C-H bond in n-butane) and 404.3 ± 1.3 (tertiary C-H bond in isobutane). The enthalpy of formation values are used in group additivity calculations to estimate Δf H298○ values of six pentyl and four hexyl free radical isomers.

Synthesis and mass spectra of rearrangement bio-signature metabolites of anaerobic alkane degradation via fumarate addition

Metabolite profiling in anaerobic alkane biodegradation plays an important role in revealing activation mechanisms. Apart from alkylsuccinates, which are considered to be the usual biomarkers via fumarate addition, the downstream metabolites of C-skeleton rearrangement can also be regarded as biomarkers. However, it is difficult to detect intermediate metabolites in both environmental samples and enrichment cultures, resulting in lacking direct evidence to prove the occurrence of fumarate addition pathway. In this work, a synthetic method of rearrangement metabolites was established. Four compounds, namely, propylmalonic acid, 2-(2-methylbutyl)malonic acid, 2-(2-methylpentyl)malonic acid and 2-(2-methyloctyl)malonic acid, were synthesized and determined by four derivatization approaches. Besides, their mass spectra were obtained. Four characteristic ions were observed at m/z 133 + 14n, 160 + 28n, 173 + 28n and [M - (45 + 14n)]+ (n = 0 and 2 for ethyl and n-butyl esters, respectively). For methyl esterification, mass spectral features were m/z 132, 145 and [M - 31]+, while for silylation, fragments were m/z 73, 147, 217, 248, 261 and [M - 15]+. These data provide basis on identification of potential rearrangement metabolites in anaerobic alkane biodegradation via fumarate addition.

Silica supported palladium phosphine as a robust and recyclable catalyst for semi-hydrogenation of alkynes using syngas

This work reports a chemo-selective semi-hydrogenation of alkynes to alkenes using silica supported palladium phosphine catalyst with syngas (CO/H2). This developed methodology is an alternative to classical Lindlar catalyst for chemo-selective semi-hydrogenation of alkynes to alkenes. Various alkynes were smoothly convert to alkenes in 60-97% conversion with 85-98% selectivity. The prepared catalyst was well characterized by Field Emmission Gun Scanning Electron Microscopy (FEG-SEM), Energy Dispersive X-ray Spectroscopy (EDS), X-ray Photoelectron Spectroscopy (XPS), Inductively Coupled Plasma- Atomic Emmission Spectroscopy (ICP-AES) analysis techniques. In addition, catalyst was effectively recycled up to four consecutive run without significant loss in its catalytic activity and selectivity.

N-alkyl functionalised expanded ring N-heterocyclic carbene complexes of rhodium(i) and iridium(i): Structural investigations and preliminary catalytic evaluation

A series of new N-alkyl functionalised 6- and 7-membered expanded ring N-heterocyclic carbene (NHC) pro-ligands 3-6 and their corresponding complexes of rhodium(i) and iridium(i), [M(NHC)(COD)Cl] 7-14 and [M(NHC)(CO) 2Cl] 15-22 are described. The complexes have been characterised by 1H and 13C{1H} NMR, mass spectrometry, IR and X-ray diffraction. It is noted from X-ray diffraction studies that the N-alkyl substituents are found to orientate themselves away from the metal centre due to unfavourable steric interactions resulting in low percent buried volume (%Vbur) values in the solid state. The heterocycle ring size is also found to dictate the spatial orientation of the N-alkyl substituents in the neopentyl functionalised derivatives 10 and 14. The 7-membered derivative 14 allows for a conformational 'twist' of the heterocycle ring with the N-alkyl substituents adopting a mutually trans configuration with respect to each other, while the more rigid 6-membered system 10 does not allow for this conformational 'twist' and consequently the N-alkyl substituents adopt a mutually cis configuration. The σ-donor function of this new class of expanded ring NHC ligand has also been probed by measured IR stretching frequencies of the [M(NHC)(CO)2Cl] complexes 15-22. A preliminary catalytic survey of the hydrogenation of functionalised alkenes with molecular hydrogen under mild conditions has also been undertaken with complex 10, affording an insight into the application of large ring NHC ancillary ligands bearing N-alkyl substituents in hydrogenation transformations.

CONTINUOUS PROCESS FOR CONVERTING NATURAL GAS TO LIQUID HYDROCARBONS

A method comprising: providing a first halogen stream; providing a first alkane stream; reacting at least a portion of the first halogen stream with at least a portion of the first alkane stream in a first reaction vessel to form a first halogenated stream; providing a second alkane stream comprising C2 and higher hydrocarbons; providing a second halogen stream; and reacting at least a portion of the second halogen stream with at least a portion of the second alkane stream in a second reaction vessel to form a second halogenated stream.

Process For Producing N-Propyl Bromide or Other Aliphatic Bromides

A process for the production of an aliphatic bromide in which the bromine atom is attached to a terminal carbon atom, which process comprises continuously feeding olefin having a terminal double bond, gaseous hydrogen bromide, and a molecular oxygen-containing gas into a liquid phase reaction medium comprised of aliphatic bromide to cause anti-Markovnikov addition of HBr to terminal olefin, the feeds being proportioned and maintained to provide a molar excess of hydrogen bromide relative to terminal olefin in the range of about 1 to about 5 percent, and a molar ratio of molecular oxygen to terminal olefin of less than 0.005. The process is especially suited for production of n-propyl bromide.

METHODS OF REMOVING IMPURITIES FROM ALKYL BROMIDES DURING DISTILLATION AND DISTILLATE PRODUCED THEREBY

Methods are provided for removing impurities from compositions comprising alkyl bromide. Such methods comprise combining such composition with at least one nonvolatile epoxide during distillation to purify the alkyl bromide. Ultra pure alkyl bromide compositions are also provided.