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| CAS No.: | 1941-30-6 |
|---|---|
| Name: | Tetrapropylammonium bromide |
| Molecular Structure: | |
|
|
|
| Formula: | C12H28NBr |
| Molecular Weight: | 266.265 |
| Synonyms: | 1-Propanaminium,N,N,N-tripropyl-, bromide (9CI);Ammonium, tetrapropyl-, bromide (8CI);Tetrapropylammonium bromide (6CI);TPABr;Tetra-n-propylammonium bromide; |
| EINECS: | 217-727-6 |
| Density: | 1.1949 (rough estimate) |
| Melting Point: | 266-272 °C |
| Solubility: | water: 100 g/L in water |
| Appearance: | white crystals or crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 0.00000 |
| LogP: | 0.44720 |
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| Conditions | Yield |
|---|---|
| In ethanol | |
| In butanone at 80℃; for 96h; | |
| In acetonitrile for 24h; Reflux; | |
| In N,N-dimethyl-formamide at 110℃; for 15h; Inert atmosphere; |
| Conditions | Yield |
|---|---|
| With tri-n-propylamine In N-methyl-acetamide | |
| With tri-n-propylamine | |
| With tri-n-propylamine In nitromethane |
- 1392488-20-8
C6H5O(1-)*C6H6O*C12H28N(1+)
- 100-39-0
benzyl bromide
A
- 946-80-5
(benzyloxy)benzene
B
- 1941-30-6
tetra-n-propylammonium bromide
C
- 108-95-2
phenol
| Conditions | Yield |
|---|---|
| In acetonitrile at 20℃; |
| Conditions | Yield |
|---|---|
| In [D3]acetonitrile at 24.84℃; Equilibrium constant; |
- 1941-30-6
tetra-n-propylammonium bromide
- 17148-97-9, 20267-56-5
potassium 1,2-dithiooxalate
| Conditions | Yield |
|---|---|
| In water K-salt in water was added to CrCl3*6H2O in water, the soln. was heated for 30 min at 60°C, chloride was added, the soln. was heated at 80°C for 20 min, ammonium salt was added, the soln. was maintained at 80°C, cooled; filtered, washed with water, methanol, diethyl ether; elem. anal.; | 100% |
- 1941-30-6
tetra-n-propylammonium bromide
- 17148-97-9, 20267-56-5
potassium 1,2-dithiooxalate
| Conditions | Yield |
|---|---|
| In water K-salt in water was added to CrCl3*6H2O in water, the soln. was heated for 30 min at 60°C, chloride was added, the soln. was heated at 80°C for 20 min, ammonium salt was added, the soln. was maintained at 80°C, cooled; filtered, washed with water, methanol, diethyl ether; elem. anal.; | 100% |
- 1941-30-6
tetra-n-propylammonium bromide
- 17148-97-9, 20267-56-5
potassium 1,2-dithiooxalate
| Conditions | Yield |
|---|---|
| In water K-salt in water was added to CrCl3*6H2O in water, the soln. was heated for 30 min at 60°C, chloride was added, the soln. was heated at 80°C for 20 min, ammonium salt was added, the soln. was maintained at 80°C, cooled; filtered, washed with water, methanol, diethyl ether; elem. anal.; | 100% |
- 1941-30-6
tetra-n-propylammonium bromide
- 17148-97-9, 20267-56-5
potassium 1,2-dithiooxalate
| Conditions | Yield |
|---|---|
| In water K-salt in water was added to CrCl3*6H2O in water, the soln. was heated for 30 min at 60°C, chloride was added, the soln. was heated at 80°C for 20 min, ammonium salt was added, the soln. was maintained at 80°C, cooled; filtered, washed with water, methanol, diethyl ether; elem. anal.; | 100% |
- 1941-30-6
tetra-n-propylammonium bromide
| Conditions | Yield |
|---|---|
| With bromine for 0.5h; Schlenk technique; Inert atmosphere; | 99% |
| Conditions | Yield |
|---|---|
| In water gradual addn. of aq. soln. of Cs3KRe6S8(CN)6*2H2O to aq. mixt. of n-Pr4NBr and Ni(CH3COO)2*4H2O, stirring for 2 h at ambient temp.; filtration, washing with water, drying in air; elem. anal.; | 97% |
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Chemistry
Molecular Structure of Tetrapropylammonium bromide (CAS NO.1941-30-6):
.
IUPAC Name: tetrapropylazanium bromide
CAS Registry Number: 1941-30-6
EINECS: 217-727-6
Empirical Formula: C12H28BrN
Molecular Weight: 266.2614
ACD/LogP: -2.64
of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): -2.64
ACD/LogD (pH 7.4): -2.64
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1
ACD/KOC (pH 7.4): 1
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 8
Polar Surface Area: 0Å2
Melting point: 266-272 oC
Water solubility: 100 g/L
Sensitive: Hygroscopic
Melting point: 266-272 °C
solubility H2O: 0.1 g/mL
Water Solubility: 100 g/L
Sensitive: Hygroscopic
BRN: 3567846
InChI
InChI=1/C12H28N.BrH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1
Smiles
[N+](CCC)(CCC)(CCC)CCC.[BrH-]
Product Categories: quarternary ammonium salts; Ammonium Bromides (Quaternary);Quaternary Ammonium Compounds; Ammonium SaltsAnalytical Reagents; Electrochemistry; Supporting Electrolytes for Electrochemistry; Ammonium Salts; Greener Alternatives: Catalysis; Phase Transfer Catalysts; AnionicHPLC; Chromatography/CE Reagents; Ion Pair; Ion Pair Reagents; Ion Pair Reagents - Anionic
Toxicity Data With Reference
| 1. | dnd-mam:lym 50 mmol/L | CBINA8 Chemico-Biological Interactions. 19 (1977),197. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx, NH3, and Br−. See also BROMIDES.
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
RTECS: BS8390000
F: 3
HS Code: 29239000
Specification
Tetrapropylammonium bromide , with CAS number of 1941-30-6, can be called 1-Propanaminium, N,N,N-tripropyl-, bromide ; 1-Propanaminium, N,N,N-tripropyl-, bromide (1:1) ; ammonium compounds, quaternary, tetrapropyl-, bromide . It is a white crystals or crystalline powder. Tetrapropylammonium bromide is hygroscopic. Be incompatible with strong oxidizing agents.