57775-08-3

Basic information

• Product Name: 3-(4-BROMOPHENYL)PROPIONITRILE
• Synonyms: 3-(4-BROMOPHENYL)PROPIONITRILE;3-(4-Bromophenyl)propionitrile 98%;3-(4-Bromophenyl)propanenitrile;3-(4-Bromophenyl)propanenitrile 98%;Benzenepropanenitrile, 4-broMo-;3-(4-Bromophenyl)propionitrile, 2-(4-Bromophenyl)ethyl cyanide;3-(4-Bromophenyl)propanenitrile98%
• CAS NO: 57775-08-3
• Molecular Formula: C₉H₈BrN
• Molecular Weight: 210.07
• Mol File: 57775-08-3.mol
• Article Data: 16

Chemical Properties

• Boiling Point: 118°C 1mm
• Flash Point: 151.5°C
• Appearance: /
• Density: 1,42 g/cm3
• Vapor Pressure: 0.00021mmHg at 25°C
• Refractive Index: 1.561
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 3-(4-BROMOPHENYL)PROPIONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(4-BROMOPHENYL)PROPIONITRILE(57775-08-3)
• EPA Substance Registry System: 3-(4-BROMOPHENYL)PROPIONITRILE(57775-08-3)

Safety Data

• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38-52
• Safety Statements: 26-36/37/39
• RIDADR: 3276
• HazardClass: IRRITANT, IRRITANT-HARMFUL
• Hazardous Substances Data: 57775-08-3(Hazardous Substances Data)

Usage

General Description

3-(4-Bromophenyl)propionitrile, is a chemical compound with the molecular formula of C9H8BrN. It is also known by its IUPAC name as 3-(4-bromophenyl)propanenitrile. It typically appears as a crystal solid and is commonly used in organic synthesis. As it contains a bromine atom, this compound is classified as bromoalkane. The toxicity and safety impacts of this compound on humans and the environment have not been extensively studied, hence proper handling and disposal procedures should be adhered to. Any research or industrial processes involving this compound should be carried out by trained professionals in a controlled environment.

InChI:InChI=1/C9H8BrN/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6H,1-2H2

Upstream product

• 589-15-1 1-bromomethyl-4-bromobenzene 
• 75-05-8 acetonitrile 
• 589-87-7 1,4-bromoiodobenzene 
• 76386-57-7 (E/Z)-3-(4-bromophenyl)propenenitrile 
• 1122-91-4 4-bromo-benzaldehyde 
• 105-56-6 ethyl 2-cyanoacetate 
• 2537-48-6 diethyl 1-cyanomethylphosphonate 
• 2039-82-9 1-bromo-4-ethenyl-benzene 
• 75-86-5 2-hydroxy-2-methylpropanenitrile 
• 21456-03-1 2-cyano-3-(4-bromophenyl)propionitrile 
• 7677-24-9 trimethylsilyl cyanide 
• 1878-68-8 2-(4-bromophenyl)-acetic acid 
• 5467-74-3 4-Bromophenylboronic acid 
• 107-13-1 acrylonitrile 

Downstream Products

• 65984-66-9 N,N'-Bis-<3-(p-bromphenyl)propyl>-thioharnstoff 
• 1401728-61-7 2-(4-bromobenzyl)-3-oxopentanenitrile 
• 1401728-63-9 3-(4-bromobenzyl)-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine 
• 1401728-29-7 C₂₅H₃₃N₅ 
• 1401728-65-1 (E)-3-(4-((2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl)phenyl)prop-2-en-1-ol 
• 1401728-66-2 (E)-3-(4-((2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl)phenyl)acrylaldehyde 
• 1401729-23-4 C₂₈H₃₈N₄O₃ 
• 1401728-93-5 C₂₉H₃₈N₄O₃ 
• 1401728-81-1 3-[4-(4-diethoxymethyl[1,2,3]triazol-1-yl)benzyl]-2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine 
• 1401728-75-3 [4-(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-ylmethyl)phenyl]hydrazine 
• 1401728-73-1 4-(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-ylmethyl)phenylamine 
• 1401728-72-0 benzhydrylidene[4-(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-ylmethyl)phenyl]amine 
• 1401728-69-5 [4-(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-ylmethyl)phenoxy]acetic acid methyl ester 
• 1401728-68-4 4-(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-ylmethyl)phenol 

Relevant articles and documents

Transition-metal-free Intramolecular C-H amination of sulfamate esters and: N -alkylsulfamides

The transition-metal-free intramolecular C-H amination of sulfamate esters using iodine oxidants, tert-butyl hypoiodite (t-BuOI) and N-iodosuccinimide (NIS) is reported. A method using NIS was also successfully applied to the oxidative cyclization of N-alkylsulfamides.

Titanium(III)-Catalyzed Reductive Decyanation of Geminal Dinitriles by a Non-Free-Radical Mechanism

A titanium-catalyzed mono-decyanation of geminal dinitriles is reported. The reaction proceeds under mild conditions, tolerates numerous functional groups, and can be applied to quaternary malononitriles. A corresponding desulfonylation is demonstrated as well. Mechanistic experiments support a catalyst-controlled cleavage without the formation of free radicals, which is in sharp contrast to traditional stoichiometric radical decyanations. The involvement of two TiIII species in the C?C cleavage is proposed, and the beneficial role of added ZnCl2 and 2,4,6-collidine hydrochloride is investigated.

Efficient nickel-catalyzed hydrocyanation of alkenes using acetone cyanohydrin as a safer cyano source

An active nickel catalyst prepared in situ from a Ni(II) compound, phosphine ligand, and zinc powder was found to be an efficient catalyst system for the hydrocyanation of various alkenes using acetone cyanohydrin as a safer cyano source. The combination of NiCl2·6H2O and 1,3-bis(diphenylphosphino)propane was the most efficient catalyst precursor in DMF. Under the optimized conditions, various styrenes, heterocyclic alkenes, and aliphatic alkenes were converted to their corresponding nitriles in excellent yields.