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CAS No.: | 3779-42-8 |
---|---|
Name: | (3-Bromopropyl)trimethylammonium bromide |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C6H15BrN.Br |
Molecular Weight: | 261 |
Synonyms: | (3-Bromopropyl)trimethylammoniumbromide (6CI,7CI);1-Propanaminium, 3-bromo-N,N,N-trimethyl-, bromide (9CI);Ammonium, (3-bromopropyl)trimethyl-, bromide (8CI);3-Bromo-N,N,N-trimethyl-1-propanaminium bromide;N,N,N-Trimethyl-N-3-bromopropylammonium bromide; |
Melting Point: | 210 °C (dec.)(lit.) |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 0.00000 |
LogP: | -1.51840 |
1,3-dibromo-propane
trimethylamine
3-bromo-N,N,N-trimethyl-1-propanaminium bromide
Conditions | Yield |
---|---|
In tetrahydrofuran | 99% |
In tetrahydrofuran for 48h; Ambient temperature; | 90% |
In diethyl ether; ethanol 1) 0 deg C, 1 h; 2) r.t., 3 days; | 74% |
1-(3-phenoxypropyl)trimethylammonium bromide
3-bromo-N,N,N-trimethyl-1-propanaminium bromide
Conditions | Yield |
---|---|
With hydrogen bromide at 120℃; for 3.5h; | 97% |
N,N′,N″-trimethyl-3-hydroxypropylammonium chloride
3-bromo-N,N,N-trimethyl-1-propanaminium bromide
Conditions | Yield |
---|---|
With hydrogen bromide |
3-bromo-N,N,N-trimethyl-1-propanaminium bromide
Conditions | Yield |
---|---|
With hydrogen bromide at 160℃; |
1,3-dibromo-propane
trimethylamine
A
3-bromo-N,N,N-trimethyl-1-propanaminium bromide
Conditions | Yield |
---|---|
With ethanol; water at 55℃; |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 2: Cl- 3: HBr View Scheme |
3-hydroxypropyltrimethylammonium iodide
3-bromo-N,N,N-trimethyl-1-propanaminium bromide
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: Cl- 2: HBr View Scheme |
3-bromo-N,N,N-trimethyl-1-propanaminium bromide
3-(2-nitrophenoxy)propyltrimethylammonium bromide
Conditions | Yield |
---|---|
Stage #1: 2-hydroxynitrobenzene With potassium carbonate In N,N-dimethyl-formamide for 0.166667h; Stage #2: 3-bromo-N,N,N-trimethyl-1-propanaminium bromide In N,N-dimethyl-formamide at 125℃; for 3h; | 100% |
3-bromo-N,N,N-trimethyl-1-propanaminium bromide
Conditions | Yield |
---|---|
With sodium carbonate In acetonitrile at 80℃; for 24h; Inert atmosphere; | 100% |
With sodium carbonate In acetonitrile at 80℃; for 24h; Inert atmosphere; |
3-bromo-N,N,N-trimethyl-1-propanaminium bromide
Conditions | Yield |
---|---|
With sodium carbonate In acetonitrile at 80℃; for 24h; Inert atmosphere; | 100% |
With sodium carbonate In acetonitrile at 80℃; for 24h; Inert atmosphere; |
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The CAS register number of (3-Bromopropyl)trimethylammonium bromide is 3779-42-8. It also can be called as 1-Propanaminium,3-bromo-N,N,N-trimethyl-, bromide (1:1) and the IUPAC name about this chemical is 3-bromopropyl(trimethyl)azanium bromide. It belongs to the following product categories, such as Ammonium Salts, Greener Alternatives: Catalysis, Phase Transfer Catalysts and so on.
Physical properties about (3-Bromopropyl)trimethylammonium bromide are: (1)ACD/LogP: -2.60; (2)ACD/LogD (pH 5.5): -2.6; (3)ACD/LogD (pH 7.4): -2.6; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3.
Preparation: this chemical can be prepared by 1,3-dibromo-propane and trimethylamine. This reaction will need reagent diethyl ether.
Uses of (3-Bromopropyl)trimethylammonium bromide: it can be used to produce (3-tert-butylperoxy-propyl)-trimethyl-ammonium; bromide with tert-butyl hydroperoxide. This reaction will need reagent KOH. The yield is about 78%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: [Br-].BrCCC[N+](C)(C)
(2)InChI: InChI=1/C6H15BrN.BrH/c1-8(2,3)6-4-5-7;/h4-6H2,1-3H3;1H/q+1;/p-1
(3)InChIKey: NNZGNZHUGJAKKT-REWHXWOFAV
(4)Std. InChI: InChI=1S/C6H15BrN.BrH/c1-8(2,3)6-4-5-7;/h4-6H2,1-3H3;1H/q+1;/p-1
(5)Std. InChIKey: NNZGNZHUGJAKKT-UHFFFAOYSA-M