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Name	Tetrapentylammonium bromide	EINECS	212-756-0
CAS No.	866-97-7	Density	0.92333 g/cm3 (35.00℃)
PSA	0.00000	LogP	3.56800
Solubility	Soluble in water	Melting Point	100-101 °C(lit.)
Formula	C20H44 N . Br	Boiling Point	N/A
Molecular Weight	378.48	Flash Point	N/A
Transport Information	N/A	Appearance	N/A
Safety	Mutation data reported. An irritant. When heated to decomposition it emits very toxic fumes of NO_x, NH₃, and Br⁻. Hygroscopic. See also BROMIDES.	Risk Codes	36/37/38
Molecular Structure		Hazard Symbols
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	Article Data	6

Tetrapentylammonium bromide Synthetic route

: 110-53-2
1-Bromopentane

: 621-77-2
tripentylamine

: 866-97-7
tetrapentylammonium bromide

Conditions

Conditions	Yield
In ethanol
In butanone
In acetonitrile Heating;
In acetonitrile

: 2498-20-6
tetrapentylammonium iodide

: 866-97-7
tetrapentylammonium bromide

Conditions

Conditions	Yield
With ammonium bromide In dichloromethane; water

: iron(II) chloride hydrate

: chromium(III) chloride * 3H2O

: 866-97-7
tetrapentylammonium bromide

: 17148-97-9, 20267-56-5
potassium 1,2-dithiooxalate

: tetra-n-pentylammonium [FeCr(dithiooxalato)3]

Conditions

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%

: 623-03-0
4-Cyanochlorobenzene

: 866-97-7
tetrapentylammonium bromide

: 292638-85-8
acrylic acid methyl ester

: (E)-pentyl 3-(4-cyanophenyl)acrylate

Conditions

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

Conditions	Yield
In dichloromethane; water	98%

: 866-97-7
tetrapentylammonium bromide

: 7705-08-0
iron(III) chloride

: 7704-34-9
sulfur

: 108-98-5
thiophenol

: 2((C5H11)4N)(1+)*[Fe2S2(S(C6H5))4](2-)=((C5H11)4N)2[Fe2S2(S(C6H5))4]

Conditions

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

: tetrapentylammonium thiotungstate

Conditions

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%

: ammonium tetrathiomolybdate

: 866-97-7
tetrapentylammonium bromide

: tetrapentylammonium thiomolybdate

Conditions

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.;

: 13755-29-8
sodium tetrafluoroborate

: 866-97-7
tetrapentylammonium bromide

: C20H44N(1+)*BF4(1-)

Conditions

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

Conditions	Yield
In benzene at 80℃;	A n/a B 92%

Tetrapentylammonium bromide Chemical Properties

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

Tetrapentylammonium bromide Toxicity Data With Reference

dnd-mam:lym 50 mmol/L

CBINA8 Chemico-Biological Interactions. 19 (1977),197.

Tetrapentylammonium bromide Consensus Reports

Reported in EPA TSCA Inventory.

Tetrapentylammonium bromide Safety Profile

Mutation data reported. An irritant. When heated to decomposition it emits very toxic fumes of NO_x, 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

Tetrapentylammonium bromide 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.

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