Allyl bromide supplier | CasNO.106-95-6

Name
Allyl bromide
EINECS 203-446-6
CAS No. 106-95-6
Article Data129
CAS DataBase
Density 1.398 g/cm³
Solubility insoluble in water
Melting Point -119 ºC
Formula C₃H₅Br
Boiling Point 68.107 ºC at 760 mmHg
Molecular Weight 120.977
Flash Point -1 ºC
Transport Information UN 1099 3/PG 1
Appearance Colorless liquid
Safety 16-26-36/37/39-45-60-61
Risk Codes 11-23/25-34-50
Molecular Structure
Hazard Symbols F,T,N
Synonyms Propene,3-bromo- (8CI);1-Bromo-2-propene;2-Propenyl bromide;3-Bromo-1-propene;3-Bromopropene;3-Bromopropylene;NSC 7596;
PSA 0.00000
LogP 1.56730

Synthetic route

: Ru(η5-C5H5)-(η3-C3H5)Br2

A: bromodicarbonyl(η5-cyclopentadienyl)ruthenium

B: 106-95-6
allyl bromide

Conditions

Conditions	Yield
With CO In decane (CO); heating (6 h, 140°C), cooling; chromy. (silica gel, ether);	A 97% B n/a
With CO In decane (CO); heating (2 h, 140°C), cooling; chromy. (silica gel, ether);	A 48% B n/a

: (η5-C5Me5)RuBr2(η3-allyl)

A: 90420-05-6
{(η5-C5(CH3)5)Ru(CO)2Br}

B: 106-95-6
allyl bromide

Conditions

Conditions	Yield
With CO In decane (CO); heating (2 h, 140°C), cooling; chromy. (silica gel, ether);	A 96% B n/a
With CO In decane (CO); heating (2 h, 120°C), cooling; chromy. (silica gel, ether);	A 45% B n/a
With carbon monoxide In diethylene glycol heating in diglime under CO atm.;;	A 70-80 B 50-70

: Ru(η5-C5H5)-(η3-C3H5)Br2

: 106-42-3
para-xylene

A: (η5-C5H5)Ru(p-xylene)Br

B: 106-95-6
allyl bromide

Conditions

Conditions	Yield
(N2); heating (16 h, 140°C), cooling; concn., chromy. (silica gel, MeOH); elem. anal.;	A 94% B n/a

...Expand

: 107-11-9
1-amino-2-propene

: 106-95-6
allyl bromide

Conditions

Conditions	Yield
With para-bromotoluene; oxalic acid at 65℃; for 1.33333h; Temperature; Reflux;	93%

: 106-96-7
propargyl bromide

: 106-95-6
allyl bromide

Conditions

Conditions	Yield
With piperazine; hydrogen In ethanol at 80℃; under 4500.45 Torr; for 24h;	92%
With piperazine; hydrogen In ethanol at 100℃; under 4500.45 Torr; for 24h; Green chemistry;
With hydrogen In ethanol at 100℃; under 4500.45 Torr; for 24h; chemoselective reaction;	89 %Chromat.
With hydrogen In ethanol at 30℃; under 3750.38 Torr; for 2h; chemoselective reaction;

: 107-18-6
allyl alcohol

: 106-95-6
allyl bromide

Conditions

Conditions	Yield
With silica bromide In dichloromethane at 20℃; for 0.0833333h;	91%
With Silphos; bromine In acetonitrile for 0.166667h; Heating;	84%
With tetradecafluorohexane; phosphorus tribromide In diethyl ether at 20℃; for 12h;	75%

: 96-11-7
1,2,3-tribromopropane

A: 106-95-6
allyl bromide

B: bromo(hexaethyltriamino)phosphonium bromide

Conditions

Conditions	Yield
With hexaethylphosphoric triamide In benzene for 24h; Ambient temperature; Yields of byproduct given;	A 89.9% B n/a

: 369594-22-9
6,7-dihydropyrido[3,2,1-ij]quinazoline-1,3 (2H,5H)-dione

A: 1422210-23-8
2-allyl-6,7-dihydro-5H-pyrido[3,2,1-ij]quinazoline-1,3-dione

B: 106-95-6
allyl bromide

Conditions

Conditions	Yield
	A n/a B 89%

: 76065-47-9
C17H19BrO2Te

A: 24727-22-8
dibromo-bis-(4-methoxy-phenyl)-λ4-tellane

B: 106-95-6
allyl bromide

Conditions

Conditions	Yield
With bromine at 0℃; for 4h;	A 80% B n/a

: 107-05-1
3-chloroprop-1-ene

A: 78-75-1
1,2-Dibromopropane

B: 3017-96-7
1-bromo-2-chloropropane

C: 3017-95-6, 127054-44-8, 130232-86-9
2-bromo-1-chloropropane

D: 106-95-6
allyl bromide

Conditions

Conditions	Yield
With hydrogen bromide; ferric(III) bromide In dichloromethane at 25℃; for 0.5h;	A 79% B 16% C 2% D 2%

...Expand

: 498-62-4
3-thiophene carboxaldehyde

: 100-39-0
benzyl bromide

: 123-11-5
4-methoxy-benzaldehyde

A: 106-95-6
allyl bromide

B: 220338-01-2
3-((Z)-2-Benzylsulfanyl-vinyl)-5-(4-methoxy-phenyl)-2,5-dihydro-furan-2-ol

Conditions

Conditions	Yield
With samarium; 1,2-Diiodoethane In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide for 27h; Ambient temperature;	A 22% B 63%

...Expand

: 506-68-3
bromocyane

: 76065-43-5
allyldiphenyltelluronium bromide

A: 76065-55-9
C13H10BrNTe

B: 106-95-6
allyl bromide

Conditions

Conditions	Yield
at 25℃; for 8h;	A 62% B n/a

...Expand

: 18146-00-4
allyloxytrimethylsilane

: 106-95-6
allyl bromide

Conditions

Conditions	Yield
With Tri-n-butylfluorphosphoniumbromid In dichloromethane at 20℃; for 24h;	61%

: 105900-07-0
trans-{Me2Co(11-hydroxy-2,3,9,10-tetramethyl-1,4,8,11-tetraazaundeca-1,3,8,10-tetraen-1-olate)}

: 100-39-0
benzyl bromide

A: 103-29-7
1,1'-(1,2-ethanediyl)bisbenzene

B: 106-95-6
allyl bromide

C: 108-88-3
toluene

Conditions

Conditions	Yield
In [D3]acetonitrile Kinetics; Irradiation (UV/VIS); Degasses condition, 298 K, 33 h;; detected by NMR-spectroscopy;;	A 22% B n/a C 55%

...Expand

: 25360-57-0
{EtCobis(dimethylglyoximato)(pyridine)}

: 100-39-0
benzyl bromide

A: 106-95-6
allyl bromide

B: 108-88-3
toluene

Conditions

Conditions	Yield
In [D3]acetonitrile Kinetics; Irradiation (UV/VIS); Degasses condition, 298 K, 14 h;; detected by NMR-spectroscopy;;	A n/a B 33%

...Expand

: 109-64-8
1,3-dibromo-propane

: 106-95-6
allyl bromide

Conditions

Conditions	Yield
With sodium hydroxide; cetylpyridinium bromide at 130℃; for 2h;	20%
With silver(l) oxide
With Hexamethylphosphorous triamide

: 23642-14-0
{MeCobis(dimethylglyoximato)(pyridine)}

: 100-39-0
benzyl bromide

A: 106-95-6
allyl bromide

B: 108-88-3
toluene

Conditions

Conditions	Yield
In [D3]acetonitrile Kinetics; Irradiation (UV/VIS); Degasses condition, 298 K, 71 h;; detected by NMR-spectroscopy;;	A n/a B 6.4%

...Expand

: N-allyl-N-[2]thienylmethyl-aniline

: 506-68-3
bromocyane

: 106-95-6
allyl bromide

: 187737-37-7
propene

: 106-95-6
allyl bromide

Conditions

Conditions	Yield
With bromine at 300 - 315℃;
With N-Bromosuccinimide; toluene-4-sulfonic acid In tetrahydrofuran at 100℃; for 4h; Inert atmosphere; Schlenk technique;
With bromine at 525℃;

: 506-68-3
bromocyane

: 31930-96-8
N-allyl-N-benzylaniline

A: 25855-25-8
N-benzyl-N-phenylcyanamide

B: 106-95-6
allyl bromide

...Expand

: 1838-59-1
3-formyloxy-propene

: 106-95-6
allyl bromide

Conditions

Conditions	Yield
With hydrogen bromide; zinc Darst.;

: 100-39-0
benzyl bromide

: 107-18-6
allyl alcohol

: 106-95-6
allyl bromide

Conditions

Conditions	Yield
With triphenyl phosphite at 140℃;

: 39943-76-5
dibromotriphenoxyphosphorane

: 107-18-6
allyl alcohol

: 106-95-6
allyl bromide

: 110-52-1
1,4-dibromo-butane

: 34557-54-5
methane

: 14604-48-9
vinyl cation

A: 187737-37-7
propene

B: 463-49-0
1,2-propanediene

C: 106-94-5
propyl bromide

D: 106-95-6
allyl bromide

Conditions

Conditions	Yield
at 100℃; under 60 - 720 Torr; Product distribution; Kinetics; Thermodynamic data; labelled with tritium; -ΔH;

...Expand

: 110-52-1
1,4-dibromo-butane

: 463-49-0
1,2-propanediene

A: 557-93-7
2-bromoprop-1-ene

B: 106-95-6
allyl bromide

Conditions

Conditions	Yield
With water; hydrogen; oxygen at 37℃; under 150 Torr; Product distribution; Irradiation; variation of system composition and initial pressure;

...Expand

: 110-52-1
1,4-dibromo-butane

: 1724-46-5, 1981-80-2, 6067-68-1, 15552-77-9, 50457-57-3, 50457-58-4, 65887-19-6, 65887-20-9
prop-1->3-enylium

A: 22211-90-1
bromolanium

B: 106-95-6
allyl bromide

Conditions

Conditions	Yield
Mechanism; Irradiation;

...Expand

: 1981-80-2, 13932-24-6
allyl radical

: 106-95-6
allyl bromide

Conditions

Conditions	Yield
With bromine under 1 Torr; Rate constant; concentration dependence; reaction of allyl radicals with NO2;
With bromine at 24.9 - 258.9℃; Kinetics; Irradiation; carrier gas, He, the role of resonance stabilization;

: 556-56-9
allyl iodid

: 106-95-6
allyl bromide

Conditions

Conditions	Yield
With pyridine; tributyltin bromide at 50℃; Thermodynamic data; Equilibrium constant; Δ G;	20 % Chromat.
With bismuth(III) bromide In 1,2-dichloro-ethane for 1.75h; Heating; Yield given;

: 148-24-3
8-quinolinol

: 106-95-6
allyl bromide

: 7652-26-8
8-Allyloxy-chinolin

Conditions

Conditions	Yield
With potassium carbonate In acetone for 24h; Heating;	100%
With sodium hydroxide; tetrabutylammomium bromide In dichloromethane; water at 25℃; for 4h;	84%
With potassium carbonate In ethanol at 70℃; for 10h; regioselective reaction;	84%

: 93-35-6
7-hydroxy-2H-chromen-2-one

: 106-95-6
allyl bromide

: 31005-03-5
7-allyloxycoumarin

Conditions

Conditions	Yield
With potassium carbonate In acetone for 5h; Heating;	100%
Stage #1: 7-hydroxy-2H-chromen-2-one With potassium carbonate In acetone at 20℃; for 0.0833333h; Stage #2: allyl bromide In acetone for 3h; Reflux;	100%
With potassium carbonate In acetone at 70℃; for 12h;	98.6%

: 90-33-5, 79566-13-5
7-hydroxy-4-methyl-chromen-2-one

: 106-95-6
allyl bromide

: 3993-57-5
7-allyloxy-4-methyl-2H-chromen-2-one

Conditions

Conditions	Yield
With potassium carbonate In acetone at 60℃; for 1h; regioselective reaction;	100%
With potassium carbonate In acetone for 16h; Reflux;	90%
With potassium carbonate In acetone for 12h; Reflux;	90%

: 92-84-2
10H-phenothiazine

: 106-95-6
allyl bromide

: 20962-92-9
10-allylphenothiazine

Conditions

Conditions	Yield
With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate In various solvent(s) for 2.5h; Ambient temperature;	100%
With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate In dichloromethane for 3h; Product distribution; Ambient temperature; other solvent;	90%
	87%
With sodium hydroxide; tetrabutylammomium bromide In toluene	62%
With copper; sodium carbonate; benzene

: 108-94-1
cyclohexanone

: 106-95-6
allyl bromide

: 1123-34-8
1-allyl-1-cyclohexanol

Conditions

Conditions	Yield
With ammonium acetate; zinc In tetrahydrofuran at 0℃; for 0.166667h; Inert atmosphere;	100%
zinc In N,N-dimethyl-formamide for 2h; Product distribution; Ambient temperature; other solvents : N,N-dimethylacetoamide, N-methyl-2-pyrrolidone, 2-pyrrolidone, 2-methyloxazoline;	99%
With zinc In N,N-dimethyl-formamide for 2h; Ambient temperature; other solvents : N,N-dimethylacetoamide, N-methyl-2-pyrrolidone, 2-pyrrolidone, 2-methyloxazoline;	99%

: 767-00-0
4-cyanophenol

: 106-95-6
allyl bromide

: 33148-47-9
4-allyloxy-benzonitrile

Conditions

Conditions	Yield
With caesium carbonate In water; N,N-dimethyl-formamide at 20℃; for 12h;	100%
With potassium carbonate In acetone at 20℃; for 24h;	99%
With potassium carbonate In acetone at 20℃; for 20h; Reflux;	98%

: 100-52-7
benzaldehyde

: 106-95-6
allyl bromide

: 80735-94-0
1-Phenyl-3-buten-1-ol

Conditions

Conditions	Yield
With zinc In tetrahydrofuran at 20℃; for 1h; Alkylation; Barbier allylation;	100%
With potassium fluoride; antimony In water for 16h; allylation;	100%
With hydrogenchloride; antimony In water for 16h; Product distribution; Further Variations:; Reagents; times;	100%

: 123-08-0
4-hydroxy-benzaldehyde

: 106-95-6
allyl bromide

: 40663-68-1
4-(2-propenyloxy)benzaldehyde

Conditions

Conditions	Yield
With potassium carbonate In acetone at 65℃;	100%
With tetra-(n-butyl)ammonium iodide; potassium carbonate In N,N-dimethyl-formamide at 20℃; for 6h;	100%
With tetra-(n-butyl)ammonium iodide; potassium carbonate In N,N-dimethyl-formamide at 20℃; for 6h;	100%

: 90-02-8
salicylaldehyde

: 106-95-6
allyl bromide

: 28752-82-1
2-(allyloxy)benzaldehyde

Conditions

Conditions	Yield
With potassium carbonate In acetone for 9h; Reflux;	100%
With potassium carbonate In N,N-dimethyl-formamide at 20℃;	100%
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 1h;	100%

: 148-53-8
3-methoxy-2-hydroxybenzaldehyde

: 106-95-6
allyl bromide

: 23343-06-8
2-allyloxy-3-methoxy-benzaldehyde

Conditions

Conditions	Yield
With potassium carbonate In acetone at 50℃; Williamson Ether Synthesis;	100%
With sodium hydroxide; benzyltri(n-butyl)ammonium chloride In dichloromethane Ambient temperature;	98%
With potassium carbonate In acetonitrile for 4h; Inert atmosphere; Reflux;	98%

: 108-98-5
thiophenol

: 106-95-6
allyl bromide

: 5296-64-0
allyl phenyl thioether

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In toluene at 20℃;	100%
With silica gel In water at 20℃; for 1h;	95%
With potassium fluoride on Celite In acetonitrile at 83℃; for 2h;	95%

: 100-83-4
meta-hydroxybenzaldehyde

: 106-95-6
allyl bromide

: 40359-32-8
3-allyloxy-benzaldehyde

Conditions

Conditions	Yield
With potassium carbonate In acetone for 18h; Heating;	100%
With potassium carbonate; sodium iodide In ethanol for 3h; Reflux;	100%
With potassium carbonate In ethanol for 3h; Reflux;	100%

: 150-76-5
4-methoxy-phenol

: 106-95-6
allyl bromide

: 13391-35-0
allyl (4-methoxyphenyl) ether

Conditions

Conditions	Yield
With potassium carbonate In butanone for 12h; Heating;	100%
With potassium carbonate In acetone at 20℃; Reflux;	100%
With potassium carbonate In acetone Reflux;	99%

: 90-05-1
2-methoxy-phenol

: 106-95-6
allyl bromide

: 4125-43-3
O-allyl guaiacol

Conditions

Conditions	Yield
With potassium carbonate In acetone at 20℃; Reflux;	100%
With potassium carbonate; potassium iodide In acetone for 18h; Reflux;	100%
With potassium carbonate	99%

: 99-76-3
methyl 4-hydroxylbenzoate

: 106-95-6
allyl bromide

: 35750-24-4
methyl 4-allyloxybenzoate

Conditions

Conditions	Yield
With potassium carbonate In acetone at 65℃; for 20h;	100%
With potassium carbonate In dimethyl sulfoxide at 20℃; for 8h;	99%
With potassium carbonate In acetone Heating;	89%

: 121-44-8
triethylamine

: 106-95-6
allyl bromide

: 29443-23-0
N,N,N-triethylprop-2-en-1-aminium bromide

Conditions

Conditions	Yield
In ethanol at 95℃; for 48h;	100%
for 2h; Reflux;	92%

: 119-61-9
benzophenone

: 106-95-6
allyl bromide

: 4165-79-1
1,1-diphenyl-3-buten-1-ol

Conditions

Conditions	Yield
With ammonium acetate; zinc In tetrahydrofuran at 0℃; for 0.0166667h; Barbier reaction;	100%
With manganese; chloro-trimethyl-silane; indium In tetrahydrofuran at 20℃; for 4h; Alkylation;	98%
With manganese; chloro-trimethyl-silane; indium In tetrahydrofuran at 20℃; for 4h; Barbier allylation;	98%

: 111-71-7
heptanal

: 106-95-6
allyl bromide

: 36971-14-9
dec-1-en-4-ol

Conditions

Conditions	Yield
With ammonium chloride; zinc In tetrahydrofuran for 1h; Ambient temperature;	100%
With silica gel; ammonium chloride; zinc for 16h; Product distribution; Mechanism; Ambient temperature; other carbonyl compounds; other allyl halides; var. solid or liquid phases; var. reaction time;	98%
With chloro-trimethyl-silane; Piperonyl butoxide; tetrabutylammomium bromide In N,N-dimethyl-formamide for 2h; Ambient temperature;	98%

: 106-41-2
4-bromo-phenol

: 106-95-6
allyl bromide

: 25244-30-8
4-(allyloxy)bromobenzene

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 16h; Alkylation;	100%
With potassium carbonate In N,N-dimethyl-formamide at 60℃;	99%
With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 0.833333h;	99%

: 116-17-6
triisopropyl phosphite

: 106-95-6
allyl bromide

: 1067-70-5
Diisopropyl allylphosphonate

Conditions

Conditions	Yield
With 2,6-di-tert-butyl-4-methyl-phenol at 115℃; for 16h;	100%
for 16h; Heating;	95%

: 90-15-3
α-naphthol

: 106-95-6
allyl bromide

: 20009-25-0
allyl naphthyl ether

Conditions

Conditions	Yield
With potassium carbonate In acetone at 20℃; Reflux;	100%
With tetra-(n-butyl)ammonium iodide; potassium carbonate In acetone for 1h; Reflux; Inert atmosphere;	100%
With potassium carbonate In N,N-dimethyl-formamide at 20℃;	99%

: 533-58-4
2-Iodophenol

: 106-95-6
allyl bromide

: 24892-63-5
1-allyloxy-2-iodobenzene

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide	100%
With potassium carbonate In N,N-dimethyl-formamide at 25℃; for 24h;	99%
With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 2h; Inert atmosphere;	99%

: 93-51-6
2-Methoxy-4-methylphenol

: 106-95-6
allyl bromide

: 201359-55-9
1-(allyloxy)-2-methoxy-4-methylbenzene

Conditions

Conditions	Yield
With potassium carbonate In acetone for 12h; Heating;	100%
With potassium carbonate; sodium iodide In acetone for 15h; Reflux; Inert atmosphere;	96%
With potassium carbonate In acetone for 6h; Heating;	95%

: 529-35-1
5,6,7,8-Tetrahydronaphthalen-1-ol

: 106-95-6
allyl bromide

: 107203-35-0
5-(allyloxy)-1,2,3,4-tetrahydronaphthalene

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 25℃; for 2h; Inert atmosphere;	100%
With methanol; sodium methylate
With sodium; toluene at 70 - 80℃;
With potassium carbonate; acetone

: 3251-56-7
2-methoxy-4-nitrophenol

: 106-95-6
allyl bromide

: 99060-58-9
1-(allyloxy)-2-methoxy-4-nitrobenzene

Conditions

Conditions	Yield
With potassium carbonate In acetone at 55℃; for 12h;	100%
With potassium carbonate; acetone
at 70℃; for 6h;

: 540-38-5
4-Iodophenol

: 106-95-6
allyl bromide

: 13997-71-2
1-(allyloxy)-4-iodobenzene

Conditions

Conditions	Yield
With tetrabutylammomium bromide; sodium hydroxide In 2-methyltetrahydrofuran; water for 0.5h; Reflux;	100%
With potassium carbonate In acetone for 1h; Reflux;	98%
Stage #1: allyl bromide With sodium hydride In N,N-dimethyl-formamide; oil at -10℃; for 0.166667h; Stage #2: p-Iodophenol In N,N-dimethyl-formamide; oil for 0.75h;	96%

: 95-56-7
2-hydroxybromobenzene

: 106-95-6
allyl bromide

: 60333-75-7
O-allyl-2-bromophenol

Conditions

Conditions	Yield
With potassium carbonate In acetone for 6h; Heating / reflux;	100%
With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.5h;	99%
With potassium carbonate In N,N-dimethyl-formamide at 60℃; Schlenk technique;	99%

: 90-44-8
anthracen-9(10H)-one

: 106-95-6
allyl bromide

: 57996-28-8
10,10-bisallylanthrone

Conditions

Conditions	Yield
With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride In dichloromethane for 1.5h; Ambient temperature;	100%
With sodium hydroxide In water for 2h;	70%
With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide In dichloromethane; water for 1h; Schlenk technique; Inert atmosphere;	63%
With lithium methanolate

: 13319-71-6
2-bromo-6-methylphenol

: 106-95-6
allyl bromide

: 854260-75-6
2-(allyloxy)-1-bromo-3-methylbenzene

Conditions

Conditions	Yield
Stage #1: 2-bromo-6-methylphenol With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.0833333h; Stage #2: allyl bromide In N,N-dimethyl-formamide; mineral oil at 20℃;	100%
With potassium carbonate; acetone
Stage #1: 2-bromo-6-methylphenol With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; Stage #2: allyl bromide In N,N-dimethyl-formamide; mineral oil at 0 - 25℃; Stage #3: With water In N,N-dimethyl-formamide; mineral oil

: 121-71-1
3-Hydroxyacetophenone

: 106-95-6
allyl bromide

: 58621-54-8
1-(3-(allyloxy)phenyl)ethanone

Conditions

Conditions	Yield
With potassium carbonate In acetone at 20℃; Reflux;	100%
With potassium carbonate In acetone for 8h; Heating;	95%
With potassium carbonate In ethanol for 3h; Reflux; Inert atmosphere;	93%

Allyl bromide Specification

The 3-Bromopropene, with the CAS registry number 106-95-6, is also known as Allyl bromide. It belongs to the product categories of Pharmaceutical Intermediates; Omega-Unsaturated Halides; Biochemistry; Omega-Functional Alkanols, Carboxylic Acids, Amines & Halides; Reagents for Oligosaccharide Synthesis. Its EINECS registry number is 203-446-6. This chemical's molecular formula is C₃H₅Br and molecular weight is 120.98. What's more, both its IUPAC name and systematic name are the same which is called 3-Bromoprop-1-ene. It is an alkylating agent used in synthesis of polymers, pharmaceuticals, allyls and other organic compounds. Physically, 3-Bromopropene is a clear liquid with an intense, acrid, and persistent smell.

Physical properties about 3-Bromopropene are: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.79; (4)ACD/LogD (pH 7.4): 1.79; (5)ACD/BCF (pH 5.5): 13.502; (6)ACD/BCF (pH 7.4): 13.502; (7)ACD/KOC (pH 5.5): 224.264; (8)ACD/KOC (pH 7.4): 224.264; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.455; (14)Molar Refractivity: 23.405 cm³; (15)Molar Volume: 86.331 cm³; (16)Surface Tension: 24.797 dyne/cm; (17)Density: 1.401 g/cm³; (18)Enthalpy of Vaporization: 30.24 kJ/mol; (19)Boiling Point: 68.107 °C at 760 mmHg; (20)Vapour Pressure: 153.455 mmHg at 25 °C.

Preparation of 3-Bromopropene: this chemical can be prepared by 3-Chloro-propene. This reaction needs reagent HBr and solvent CH₂Cl₂ at temperature of 25 °C. The reaction time is 0.5 hours. The yield is 2 %.

3-Bromopropene can be prepared by 3-Chloro-propene.

Uses of 3-Bromopropene: it is used to produce other chemicals. For example, it can react with Piperidine to get 1-Allyl-piperidine. The reaction occurs with solvent benzene at temperature of 95-100 °C. The yield is 37 %.

3-Bromopropene can react with Piperidine to get 1-Allyl-piperidine.

When you are dealing with this chemical, you should be very careful. This chemical may destroy living tissue on contacting. In addition, This chemical is highly flammable and it may catch fire in contact with air and only need briefly contact with an ignition source. So it may cause burns. What's more, it is toxic by inhalation and if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. This material and its container must be disposed of as hazardous waste.

You can still convert the following datas into molecular structure:
(1) SMILES: C=CCBr
(2) InChI: InChI=1S/C3H5Br/c1-2-3-4/h2H,1,3H2
(3) InChIKey: BHELZAPQIKSEDF-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mammal (species unspecified)	LC50	inhalation	4110mg/m³ (4110mg/m³)	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(4), Pg. 55, 1974.
mouse	LD50	intraperitoneal	48mg/kg (48mg/kg)	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 20(12), Pg. 52, 1976.
rat	LC50	inhalation	10gm/m³/30M (10000mg/m³)	Fiziologicheski Aktivnye Veshchestva. Physiologically Active Substances. Vol. 7, Pg. 35, 1975.
rat	LD50	oral	120mg/kg (120mg/kg)	JAT, Journal of Applied Toxicology. Vol. 9, Pg. 235, 1989.

Product Name

Allyl bromide

Synthetic route

Allyl bromide Specification

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