Allyl bromide

Details

Stereochemistry	ACHIRAL
Molecular Formula	C3H5Br
Molecular Weight	120.976
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

BrCC=C

InChI

InChIKey=BHELZAPQIKSEDF-UHFFFAOYSA-N

InChI=1S/C3H5Br/c1-2-3-4/h2H,1,3H2

HIDE SMILES / InChI

Molecular Formula	C3H5Br
Molecular Weight	120.976
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
1,3-Bis[(3-allyl-imidazol-3-ium-1-yl)meth-yl]benzene bis-(hexa-fluoridophosphate).	2010-12-11	21522792
Metal-mediated allylation of enzymatically oxidized methyl α-D-galactopyranoside.	2010-12-10	21055730
Reactivity of alkynylzirconates towards allyl bromides: selective formation of β-allyl-zirconacyclopentadienes.	2010-11-07	20856945
Stereoselective α-aminoallylation of aldehydes with chiral tert-butanesulfinamides and allyl bromides.	2010-09-17	20722370
Joint experimental and DFT study of the gas-phase unimolecular elimination kinetic of methyl trifluoropyruvate.	2010-08-05	20617806
Monomeric and dimeric nickel complexes derived from a pincer ligand featuring a secondary amine donor moiety.	2010-07-05	20527791
An expeditious synthesis of [1,2]isoxazolidin-5-ones and [1,2]oxazin-6-ones from functional allyl bromide derivatives.	2010-06-07	20657429
Oxidation state, aggregation, and heterolytic dissociation of allyl indium reagents.	2010-05-05	20377261
Palladium complexes with a tridentate PNO ligand. Synthesis of eta1-allyl complexes and cross-coupling reactions promoted by boron compounds.	2010-04-21	20354619
Experimental and theoretical studies of the homogeneous, unimolecular gas-phase elimination kinetics of trimethyl orthovalerate and trimethyl orthochloroacetate.	2010-04-01	20210351
Rapid Cu-free click chemistry with readily synthesized biarylazacyclooctynones.	2010-03-24	20187640
Mechanism of alpha-amino acids decomposition in the gas phase. experimental and theoretical study of the elimination kinetics of N-benzyl glycine ethyl ester.	2010-02-25	20121282
Facile synthetic access to rhenium(II) complexes: activation of carbon-bromine bonds by single-electron transfer.	2010-02-15	20066700
Indium-mediated asymmetric barbier-type allylations: additions to aldehydes and ketones and mechanistic investigation of the organoindium reagents.	2010-02-05	20027999
Synthesis of the oxepinochromone natural products ptaeroxylin (desoxykarenin), ptaeroxylinol, and eranthin.	2010-01-15	20000660
Mechanical properties of IIR/OMMT nanocomposites via melt-compounding and solution process.	2010-01	20352835
Evidence for a rapid degenerate hetero-Cope-type rearrangement in [Cp*W(S)2S-CH2-CH=CH2].	2009-12-01	19885900
(3-Allyl-oxypicolinato-κN,O)bis-[3,5-difluoro-2-(2-pyrid-yl)phenyl-κC,N]iridium(III).	2009-11-11	21578586
Versatile synthesis and rational design of caged morpholinos.	2009-09-23	19708646
Metal-catalyzed cyclization of beta- and gamma-allenols derived from D-glyceraldehyde--synthesis of enantiopure dihydropyrans and tetrahydrooxepines: an experimental and theoretical study.	2009-09-14	19637164
10-Allyl-2,3-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione.	2009-09-05	21577793
1-Allyl-3-chloro-6-nitro-1H-indazole.	2009-09-05	21577791
The synthesis of 2- and 3-aryl indoles and 1,3,4,5-tetrahydropyrano[4,3-b]indoles and their antibacterial and antifungal activity.	2009-09-01	19660944
Synthesis and conformational analysis of locked carbocyclic analogues of 1,3-diazepinone riboside, a high-affinity cytidine deaminase inhibitor.	2009-08-21	19618900
7,9-Diallyl-6-methyl-7H-1,2,4-triazolo[4,3-b][1,2,4]triazepin-8(9H)-one.	2009-08-15	21577561
Synthesis, structure, and reactions of NH-bridged calix[m]arene[n]pyridines.	2009-08-07	19496575
Zn-mediated electrochemical allylation of aldehydes in aqueous ammonia.	2009-07-14	19662260
Joint experimental and theoretical studies of the mechanism for the gas phase elimination kinetics of methyl 2,2-dimethyl-3-hydroxypropionate.	2009-04-16	19309138
A fluorous-tagged "safety catch" linker for preparing heterocycles by ring-closing metathesis.	2009-02-19	19173645
Stereoselective functionalisation of cis- and trans-2-ferrocenyl-3-pivaloyl-4-alkyl-1,3-oxazolidin-5-ones: asymmetric synthesis of (R)- and (S)-2-alkyl-2-aminopent-4-enoic acids and (2R,3S)-2-amino-2-methyl-3-hydroxy-3-phenylpropanoic acid.	2009-02-07	19156319
Distributed Drug Discovery, Part 2: global rehearsal of alkylating agents for the synthesis of resin-bound unnatural amino acids and virtual D(3) catalog construction.	2008-12-25	19105725
Indium and zinc-mediated Barbier-type addition reaction of 2,3-allenals with allyl bromide: an efficient synthesis of 1,5,6-alkatrien-4-ols.	2008-12-21	19039368
Vinylic C--H borylation of cyclic vinyl ethers with bis(pinacolato)diboron catalyzed by an Iridium(I)-dtbpy complex.	2008-12-01	18844313
Zinc-mediated allylation and alkylation of aminals in the presence of TMSCl and diisopropylamine.	2008-11-21	18947253
Mono(cycloheptatrienyl) tantalum chemistry: synthesis and characterization of new tantalum halide, hydride, and alkyl species.	2008-11-17	18847259
Regiospecifically alpha-13C-labeled porphyrins for studies of ground-state hole transfer in multiporphyrin arrays.	2008-09-19	18722412
Ethyl 2-allylsulfanyl-4-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate.	2008-08-23	21201789
Bis[3-allyl-1-(4-cyanobenzyl)-2-methylbenzimidazolium] di-μ-bromido-bis[bromidocuprate(I)].	2008-08-23	21201637
Natural products as an inspiration in the diversity-oriented synthesis of bioactive compound libraries.	2008-08	18663392
(2S,NS)-N-Allyl-N-benzyl-1-hydr-oxy-3-(4-hydroxy-phen-yl)-N-methyl-propan-2-aminium bromide.	2008-07-31	21203311
Analytical application of poly{methyl[3-(2-hydroxy-3,4-difluoro)phenyl]propyl siloxane} as a QCM coating for DMMP detection.	2008-07-30	18585342
7-Bromo-4b-methyl-7,8-dihydro-4bH-9-thia-8a-aza-fluorene 9,9-dioxide.	2008-06-19	21202932
(2S,4aR,3S,8aR,9R,10R)-1,4-Diallyl-2,3-diphenyl-perhydro-quinoxaline.	2008-04-26	21202389
Combined experimental and theoretical mechanistic investigation of the Barbier allylation in aqueous media.	2008-04-18	18351780
Toxicology studies of allyl bromide (CAS No. 106-95-6) in genetically modified (FVB Tg.AC hemizygous) mice and carcinogenicity studies of allyl bromide in genetically modified [B6.129-Trp53tm1Brd (N5) Haploinsufficient] mice (dermal and gavage studies).	2008-04	18784760
3-Allyl-1-(3-cyano-phenyl-methyl-ene)-2-methyl-1H-benzoimidazol-3-ium bromide monohydrate.	2007-12-06	21200673
Investigation of the gas phase reactivity of the 1-adamantyl radical using a distonic radical anion approach.	2007-11-07	17943209
Aqueous Barbier allylation of aldehydes mediated by tin.	2007-08-29	17962728
Synthesis, molecular structure and characterization of allylic derivatives of 6-amino-3-methyl-1,2,4-triazolo[3,4-f][1,2,4]-triazin-8(7H)-one.	2006-06-22	17962777
Addition of organochromium reagents to heteroaryl aldehydes. Synthesis of heteroaryl substituted bis-allyl ethers and homoallyl ethers.	2004-01-31	18007408

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:34:30 GMT 2025` Edited by `admin` on `Mon Mar 31 18:34:30 GMT 2025`
Record UNII	FXQ8X2F74Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Allyl bromide

Systematic Name

English

NSC-7596

Preferred Name

English

ALLYL BROMIDE [HSDB]

Common Name

English

ALLYL BROMIDE [MI]

Common Name

English

Code System Code Type Description

FDA UNII

FXQ8X2F74Z