2-Allyloxy-1,3,5-tribromobenzene supplier

Name
2-Allyloxy-1,3,5-tribromobenzene
EINECS 221-913-2
CAS No. 3278-89-5
Density 1.95 g/cm³
Solubility
Melting Point 74-76 °C(lit.)
Formula C₉H₇Br₃O
Boiling Point 339.5 °C at 760 mmHg
Molecular Weight 370.866
Flash Point 138 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzene,1,3,5-tribromo-2-(2-propenyloxy)- (9CI);Ether, allyl 2,4,6-tribromophenyl(7CI,8CI);2,4,6-Tribromophenyl allyl ether;Allyl 2,4,6-tribromophenyl ether;NSC 35767;Pyroguard FR 100;
PSA 9.23000
LogP 4.53890

Synthetic route

: 2666-53-7
sodium 2,4,6-tribromophenolate

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

: 3278-89-5
2-(allyloxy)-1,3,5-tribromobenzene

Conditions

Conditions	Yield
With sodium stearate; benzyltriethylammonium chloride In ethanol at 75℃; for 6.5h; Reagent/catalyst; Temperature;	96.2%

: 106-95-6
allyl bromide

: 118-79-6
2,4,6-tribromophenol

: 3278-89-5
2-(allyloxy)-1,3,5-tribromobenzene

Conditions

Conditions	Yield
With potassium carbonate; acetone

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

: 118-79-6
2,4,6-tribromophenol

: 3278-89-5
2-(allyloxy)-1,3,5-tribromobenzene

Conditions

Conditions	Yield
With sodium hydroxide; ethanol

: 556-56-9
allyl iodid

: 118-79-6
2,4,6-tribromophenol

: 3278-89-5
2-(allyloxy)-1,3,5-tribromobenzene

Conditions

Conditions	Yield
With potassium carbonate

: 2666-53-7
sodium 2,4,6-tribromophenolate

: 106-95-6
allyl bromide

: 3278-89-5
2-(allyloxy)-1,3,5-tribromobenzene

Conditions

Conditions	Yield
With Amberlite IRA-400(Cl-form) 1.) water, 2.) EtOH, room t., 1.0 h; Yield given. Multistep reaction;

: 3278-89-5
2-(allyloxy)-1,3,5-tribromobenzene

: 90326-75-3
1,3,5-tribromo-2-propoxybenzene

Conditions

Conditions	Yield
With 1% Pd on activated carbon; hydrogen In water at 20℃; under 760.051 Torr; for 20h; Green chemistry; chemoselective reaction;	85%

: 3278-89-5
2-(allyloxy)-1,3,5-tribromobenzene

: 5,7-dibromo-3-methyl-2,3-dihydrobenzofuran

Conditions

Conditions	Yield
With triethylamine; Lumogen F Orange 240 In N,N-dimethyl-formamide at 40℃; for 48h; Irradiation;	28%

: 119-64-2
tetralin

: 3278-89-5
2-(allyloxy)-1,3,5-tribromobenzene

A: 89819-20-5
5,7-dibromo-2-methyl-2,3-dihydro-benzofuran

B: 84492-02-4
2-allyl-4,6-dibromophenol

Conditions

Conditions	Yield
at 200 - 210℃;

...Expand

: 3278-89-5
2-(allyloxy)-1,3,5-tribromobenzene

: 84492-02-4
2-allyl-4,6-dibromophenol

Conditions

Conditions	Yield
With tetralin at 195 - 210℃;

: 3278-89-5
2-(allyloxy)-1,3,5-tribromobenzene

: 35109-60-5
2,3-dibromopropyl 2,4,6-tribromophenyl ether

Conditions

Conditions	Yield
With chloroform; bromine

: 67-66-3
chloroform

: 3278-89-5
2-(allyloxy)-1,3,5-tribromobenzene

: 7726-95-6
bromine

: 35109-60-5
2,3-dibromopropyl 2,4,6-tribromophenyl ether

...Expand

: 3278-89-5
2-(allyloxy)-1,3,5-tribromobenzene

A: 2,3-dibromopropyl 2,4,6-tribromophenyl ether

B: 2,3-dibromopropyl 2,4,6-tribromophenyl ether

Conditions

Conditions	Yield
With bromine In chloroform at 20℃; for 0.5h;

: 3278-89-5
2-(allyloxy)-1,3,5-tribromobenzene

: 89819-20-5
5,7-dibromo-2-methyl-2,3-dihydro-benzofuran

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: tetralin / 195 - 210 °C 2: acetic acid; aqueous hydrobromic acid View Scheme

: 3278-89-5
2-(allyloxy)-1,3,5-tribromobenzene

: 760980-78-7
2,4,6-Tribromophenyl (1-propenyl) ether

Conditions

Conditions	Yield
With (carbonyl)(chloro)(hydrido)tris(triphenylphosphine)ruthenium(II) In 5,5-dimethyl-1,3-cyclohexadiene at 140℃; for 5h;	99 %Spectr.

2-Allyloxy-1,3,5-tribromobenzene Specification

The Benzene,1,3,5-tribromo-2-(2-propen-1-yloxy)-, with CAS registry number 3278-89-5, belongs to the following product categories: (1)Allyl Monomers; (2)Monomers; (3)Polymer Science. It has the systematic name of 1,3,5-tribromo-2-(prop-2-en-1-yloxy)benzene. What's more, its EINECS is 221-913-2. The main use of this chemical is for Polystyrene foam plastics. When this chemical is used with hexabromocyclododecane, it is an effective assisting element.

Physical properties of Benzene,1,3,5-tribromo-2-(2-propen-1-yloxy)-: (1)ACD/LogP: 4.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.97; (4)ACD/LogD (pH 7.4): 4.97; (5)ACD/BCF (pH 5.5): 3551.67; (6)ACD/BCF (pH 7.4): 3551.67; (7)ACD/KOC (pH 5.5): 12105.83; (8)ACD/KOC (pH 7.4): 12105.83; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 64.99 cm³; (15)Molar Volume: 190 cm³; (16)Polarizability: 25.76×10^-24cm³; (17)Surface Tension: 42 dyne/cm; (18)Enthalpy of Vaporization: 55.99 kJ/mol; (19)Vapour Pressure: 0.00018 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(Br)cc(Br)c1OC\C=C
(2)InChI: InChI=1/C9H7Br3O/c1-2-3-13-9-7(11)4-6(10)5-8(9)12/h2,4-5H,1,3H2
(3)InChIKey: RZLLIOPGUFOWOD-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C9H7Br3O/c1-2-3-13-9-7(11)4-6(10)5-8(9)12/h2,4-5H,1,3H2
(5)Std. InChIKey: RZLLIOPGUFOWOD-UHFFFAOYSA-N

Product Name

2-Allyloxy-1,3,5-tribromobenzene

Synthetic route

2-Allyloxy-1,3,5-tribromobenzene Specification

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