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2-Allyloxy-1,3,5-tribromobenzene

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Name

2-Allyloxy-1,3,5-tribromobenzene

EINECS 221-913-2
CAS No. 3278-89-5 Density 1.95 g/cm3
PSA 9.23000 LogP 4.53890
Solubility N/A 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 N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 3278-89-5 (2-Allyloxy-1,3,5-tribromobenzene) Hazard Symbols N/A
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;

 

2-Allyloxy-1,3,5-tribromobenzene 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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
at 200 - 210℃;
3278-89-5

2-(allyloxy)-1,3,5-tribromobenzene

84492-02-4

2-allyl-4,6-dibromophenol

Conditions
ConditionsYield
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
ConditionsYield
With chloroform; bromine

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

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