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CAS No.: | 3278-89-5 |
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Name: | 2-Allyloxy-1,3,5-tribromobenzene |
Molecular Structure: | |
Formula: | C9H7Br3O |
Molecular Weight: | 370.866 |
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; |
EINECS: | 221-913-2 |
Density: | 1.95 g/cm3 |
Melting Point: | 74-76 °C(lit.) |
Boiling Point: | 339.5 °C at 760 mmHg |
Flash Point: | 138 °C |
PSA: | 9.23000 |
LogP: | 4.53890 |
sodium 2,4,6-tribromophenolate
3-chloroprop-1-ene
2-(allyloxy)-1,3,5-tribromobenzene
Conditions | Yield |
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With sodium stearate; benzyltriethylammonium chloride In ethanol at 75℃; for 6.5h; Reagent/catalyst; Temperature; | 96.2% |
Conditions | Yield |
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With potassium carbonate; acetone |
Conditions | Yield |
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With sodium hydroxide; ethanol |
Conditions | Yield |
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With potassium carbonate |
sodium 2,4,6-tribromophenolate
allyl bromide
2-(allyloxy)-1,3,5-tribromobenzene
Conditions | Yield |
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With Amberlite IRA-400(Cl-form) 1.) water, 2.) EtOH, room t., 1.0 h; Yield given. Multistep reaction; |
2-(allyloxy)-1,3,5-tribromobenzene
1,3,5-tribromo-2-propoxybenzene
Conditions | Yield |
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With 1% Pd on activated carbon; hydrogen In water at 20℃; under 760.051 Torr; for 20h; Green chemistry; chemoselective reaction; | 85% |
2-(allyloxy)-1,3,5-tribromobenzene
Conditions | Yield |
---|---|
With triethylamine; Lumogen F Orange 240 In N,N-dimethyl-formamide at 40℃; for 48h; Irradiation; | 28% |
tetralin
2-(allyloxy)-1,3,5-tribromobenzene
A
5,7-dibromo-2-methyl-2,3-dihydro-benzofuran
B
2-allyl-4,6-dibromophenol
Conditions | Yield |
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at 200 - 210℃; |
2-(allyloxy)-1,3,5-tribromobenzene
2-allyl-4,6-dibromophenol
Conditions | Yield |
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With tetralin at 195 - 210℃; |
2-(allyloxy)-1,3,5-tribromobenzene
2,3-dibromopropyl 2,4,6-tribromophenyl ether
Conditions | Yield |
---|---|
With chloroform; bromine |
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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