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| CAS No.: | 866-97-7 |
|---|---|
| Name: | TETRAPENTYLAMMONIUM BROMIDE |
| Article Data: | 6 |
| Molecular Structure: | |
|
|
|
| Formula: | C20H44 N . Br |
| Molecular Weight: | 378.48 |
| Synonyms: | 1-Pentanaminium,N,N,N-tripentyl-, bromide (9CI); Ammonium, tetrapentyl-, bromide (8CI);Tetrapentylammonium bromide (6CI,7CI); Tetra-n-amylammonium bromide;Tetra-n-pentylammonium bromide; Tetraamylammonium bromide |
| EINECS: | 212-756-0 |
| Density: | 0.92333 g/cm3 (35.00℃) |
| Melting Point: |
100-101 °C(lit.) |
| Solubility: | Soluble in water |
| Hazard Symbols: |
|
| Risk Codes: | 36/37/38 |
| Safety: | Mutation data reported. An irritant. When heated to decomposition it emits very toxic fumes of NOx, NH3, and Br−. Hygroscopic. See also BROMIDES. |
| PSA: | 0.00000 |
| LogP: | 3.56800 |
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| Conditions | Yield |
|---|---|
| In ethanol | |
| In butanone | |
| In acetonitrile Heating; | |
| In acetonitrile |
| Conditions | Yield |
|---|---|
| With ammonium bromide In dichloromethane; water |
- 866-97-7
tetrapentylammonium 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% |
| Conditions | Yield |
|---|---|
| With C32H27N4O2Pd(1+)*BF4(1-); sodium acetate at 140℃; for 12h; Inert atmosphere; Schlenk technique; Green chemistry; | 100% |
- 333-20-0
potassium thioacyanate
- 866-97-7
tetrapentylammonium bromide
- 3475-60-3
tetra(n-pentyl)ammonium thiocyanate
| Conditions | Yield |
|---|---|
| In dichloromethane; water | 98% |
| Conditions | Yield |
|---|---|
| With Triton X-100 In water; acetonitrile under anaerobic conditions, addn. of solid S to react. mixt. in aq. buffer/Triton/CH3CN; filtered after 2 d, washed with ether, water, and ether, dried in vac.,elem. anal.; | 96% |
- 13862-78-7
ammonium tetrathiotungstate
- 866-97-7
tetrapentylammonium bromide
| Conditions | Yield |
|---|---|
| In water byproducts: NH4Br; stirred at 323 K for 10 min; crystd. overnight at room temp.; | 95% |
| In water according to Alonso G., et al., Inorg. Chim. Acta, 1998, 274, 108; aq. soln. of (NH4)2WS4 was added to aq. soln. of bromide; stirred for 30 min; elem. anal.; | 80% |
| Conditions | Yield |
|---|---|
| In water byproducts: NH4Br; stirred at 323 K for 10 min; crystd. overnight at room temp.; | 95% |
| With sodium hydroxide In water (NH4)2MoS4 dissolved in water, stirred, ligand dissolved in soln. of NaOH in water, stirred, mixed, stirred for 30 min, kept over ice overnight; filtered, washed with cold water and EtOH; | 90% |
| In water aq. soln. of (NH4)2MoS4 added to aq. soln. of tetrapentylammonium bromide; soln. stirred at room temp. for 10 min and then kept undisturbed overnight; pptn.; |
| Conditions | Yield |
|---|---|
| In pentan-1-ol; water | 94.5% |
- 1912-31-8
propyl methanesulfonate
- 866-97-7
tetrapentylammonium bromide
A
- 106-94-5
propyl bromide
B
- 113369-05-4
Methanesulfonatetetrapentyl-ammonium;
| Conditions | Yield |
|---|---|
| In benzene at 80℃; | A n/a B 92% |
- Total:19 Page 1 of 1 1
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Chemistry
Molecule structure of Tetrapentylammonium bromide (CAS NO.866-97-7) :
IUPAC Name: tetrapentylazanium bromide
Molecular Weight: 378.47406 g/mol
Molecular Formula: C20H44BrN
Melting Point: 100-101 °C(lit.)
H-Bond Acceptor: 1
Rotatable Bond Count: 16
Exact Mass: 377.265713
MonoIsotopic Mass: 377.265713
Heavy Atom Count: 22
Complexity: 155
Canonical SMILES: CCCCC[N+](CCCCC)(CCCCC)CCCCC.[Br-]
InChI: InChI=1S/C20H44N.BrH/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;/h5-20H2,1-4H3;1H/q+1;/p-1
InChIKey: SPALIFXDWQTXKS-UHFFFAOYSA-M
EINECS: 212-756-0
Product Categories of Tetrapentylammonium bromide (CAS NO.866-97-7) : Ammonium Bromides (Quaternary); Quaternary Ammonium Compounds; AnionicHPLC; Chromatography/CE Reagents; Ion Pair; Ion Pair Reagents; Ion Pair Reagents - Anionic; AmmoniumGreener Alternatives: Catalysis; Chemical Synthesis; Ionic Liquids; Ammonium Salts; Greener Alternatives: Catalysis; Phase Transfer Catalysts
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. An irritant. When heated to decomposition it emits very toxic fumes of NOx, NH3, and Br−. Hygroscopic. See also BROMIDES.
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
Specification
Tetrapentylammonium bromide (CAS NO.866-97-7) is also called 1-Pentanaminium, N,N,N-tripentyl-, bromide ; 1-Pentanaminium, N,N,N-tripentyl-, bromide (1:1) . Tetrapentylammonium bromide (CAS NO.866-97-7) is white shiny flakes.