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4554-16-9 Usage


2,3-Dibromopropionitrile is an organic compound with the chemical formula C3HBr2N. It is a synthetic reagent that is widely used in various applications due to its unique properties.


Used in Organic Synthesis:
2,3-Dibromopropionitrile is used as a synthetic reagent in the chemical industry for the production of various organic compounds. Its reactivity and versatility make it a valuable component in the synthesis of different molecules.
Used in Drinking Water Treatment:
2,3-Dibromopropionitrile is also a potential halogenated byproduct found in drinking water treatment processes. It is important to monitor and control the levels of this compound in water supplies to ensure the safety and quality of drinking water for consumers.

Check Digit Verification of cas no

The CAS Registry Mumber 4554-16-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,5,5 and 4 respectively; the second part has 2 digits, 1 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 4554-16:
89 % 10 = 9
So 4554-16-9 is a valid CAS Registry Number.



According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017


1.1 GHS Product identifier

Product name 2,3-Dibromo-propionitrile

1.2 Other means of identification

Product number -
Other names 2,3-dibromopropanenitrile

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:4554-16-9 SDS

4554-16-9Upstream product

4554-16-9Relevant articles and documents

Synthesis, Molecular Structure, and Spectroscopical Properties of Alkenylphosphonic Derivatives. 1. Vinyl-, Propenyl-, (Bromoalkenyl)-, and (Cyanoalkenyl)phosphonic Compounds

Sainz-Diaz, C. I.,Galvez-Ruano, E.,Hernandez-Laguna, A.,Bellanato, J.

, p. 74 - 83 (1995)

Several vinyl-, propenyl-, (bromoalkenyl)-, and (cyanoalkenyl)phosphonate derivatives have been synthesized.The (2-cyanovinyl)phosphonates have been obtained with an important improvement in the yield (40percent versus 6percent).The separation of the E and Z isomers of the cyano derivatives and their hydrolysis to the corresponding phosphonic acids have been studied.The bromination and dehydrobromination of some alkenylphosphonic derivatives have also been studied.Spectroscopical studies from UV, IR, Raman, and 1H, 13C, and 31P NMR have been performed in most of these derivatives.The C=C/P=O ? conjugation exists but it is weak in all these compounds.Dipole moments and C=C/P=O conformational populations have been calculated theoretically by ab initio methods.The effect of the solvent polarity on the conformational population has been observed by IR spectroscopy disclosing two C=C/P=O conformers.Experimental and theoretical results have been compared, a high level of agreement has been found.

Method for efficiently synthesizing N-3-isooxazole tert-butyl carbamate


Paragraph 0030; 0032, (2019/03/08)

The invention discloses a method for efficiently synthesizing N-3-isooxazole tert-butyl carbamate. The synthetic route comprises the following steps: brominating a compound A to obtain a compound B, and reacting the compound B and a compound C to obtain a compound D; and reacting the compound D and di-tert-butyl dicarbonate ester, thereby obtaining the compound E. The reaction formula is as shownin the specification. The process method for synthesizing 3-aminoisoxazole is simple in process, cheap and readily available in raw materials, simple and convenient in operation and extremely suitablefor large-scale industrial production, and has very wide industrial application prospects and market value.

Characterization of an indole-3-acetamide hydrolase from alcaligenes faecalis subsp. parafaecalis and its application in efficient preparation of both enantiomers of chiral building block 2,3-dihydro-1,4-benzodioxin-2-carboxylic acid

Mishra, Pradeep,Kaur, Suneet,Sharma, Amar Nath,Jolly, Ravinder S.

, (2016/07/26)

Both the enantiomers of 2,3-dihydro-1,4-benzodioxin-2-carboxylic acid are valuable chiral synthons for enantiospecific synthesis of therapeutic agents such as (S)-doxazosin mesylate, WB 4101, MKC 242, 2,3-dihydro-2-hydroxymethyl-1,4-benzodioxin, and N-[2,4-oxo-1,3-thiazolidin-3-yl]-2,3-dihydro-1,4-benzodioxin-2-carboxamide. Pharmaceutical applications require these enantiomers in optically pure form. However, currently available methods suffer from one drawback or other, such as low efficiency, uncommon and not so easily accessible chiral resolving agent and less than optimal enantiomeric purity. Our interest in finding a biocatalyst for efficient production of enantiomerically pure 2,3-dihydro-1,4-benzodioxin-2-carboxylic acid lead us to discover an amidase activity from Alcaligenes faecalis subsp. parafaecalis, which was able to kinetically resolve 2,3-dihydro-1,4-benzodioxin-2-carboxyamide with E value of >200. Thus, at about 50% conversion, (R)-2,3-dihydro-1,4-benzodioxin-2-carboxylic acid was produced in >99% e.e. The remaining amide had (S)-configuration and 99% e.e. The amide and acid were easily separated by aqueous (alkaline)-organic two phase extraction method. The same amidase was able to catalyse, albeit at much lower rate the hydrolysis of (S)-amide to (S)-acid without loss of e.e. The amidase activity was identified as indole-3-acetamide hydrolase (IaaH). IaaH is known to catalyse conversion of indole-3-acetamide (IAM) to indole-3-acetic acid (IAA), which is phytohormone of auxin class and is widespread among plants and bacteria that inhabit plant rhizosphere. IaaH exhibited high activity for 2,3-dihydro-1,4-benzodioxin-2-carboxamide, which was about 65% compared to its natural substrate, indole-3-acetamide. The natural substrate for IaaH indole-3-acetamide shared, at least in part a similar bicyclic structure with 2,3-dihydro-1,4-benzodioxin-2-carboxamide, which may account for high activity of enzyme towards this un-natural substrate. To the best of our knowledge this is the first application of IaaH in production of industrially important molecules.

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