Product Name

  • Name

    TETRAPENTYLAMMONIUM BROMIDE

  • EINECS 212-756-0
  • CAS No. 866-97-7
  • Article Data6
  • CAS DataBase
  • Density 0.92333 g/cm3 (35.00℃)
  • Solubility Soluble in water
  • Melting Point 100-101 °C(lit.)
  • Formula C20H44 N . Br
  • Boiling Point
  • Molecular Weight 378.48
  • Flash Point
  • Transport Information
  • Appearance
  • Safety Mutation data reported. An irritant. When heated to decomposition it emits very toxic fumes of NOx, NH3, and Br−. Hygroscopic. See also BROMIDES.
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 866-97-7 (TETRAPENTYLAMMONIUM BROMIDE)
  • 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
  • PSA 0.00000
  • LogP 3.56800

Synthetic route

1-Bromopentane
110-53-2

1-Bromopentane

tripentylamine
621-77-2

tripentylamine

tetrapentylammonium bromide
866-97-7

tetrapentylammonium bromide

Conditions
ConditionsYield
In ethanol
In butanone
In acetonitrile Heating;
In acetonitrile
tetrapentylammonium iodide
2498-20-6

tetrapentylammonium iodide

tetrapentylammonium bromide
866-97-7

tetrapentylammonium bromide

Conditions
ConditionsYield
With ammonium bromide In dichloromethane; water
iron(II) chloride hydrate

iron(II) chloride hydrate

chromium(III) chloride * 3H2O

chromium(III) chloride * 3H2O

tetrapentylammonium bromide
866-97-7

tetrapentylammonium bromide

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

potassium 1,2-dithiooxalate

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

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

Conditions
ConditionsYield
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%
...Expand
4-Cyanochlorobenzene
623-03-0

4-Cyanochlorobenzene

tetrapentylammonium bromide
866-97-7

tetrapentylammonium bromide

acrylic acid methyl ester
292638-85-8

acrylic acid methyl ester

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

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

Conditions
ConditionsYield
With C32H27N4O2Pd(1+)*BF4(1-); sodium acetate at 140℃; for 12h; Inert atmosphere; Schlenk technique; Green chemistry;100%
...Expand
potassium thioacyanate
333-20-0

potassium thioacyanate

tetrapentylammonium bromide
866-97-7

tetrapentylammonium bromide

tetra(n-pentyl)ammonium thiocyanate
3475-60-3

tetra(n-pentyl)ammonium thiocyanate

Conditions
ConditionsYield
In dichloromethane; water98%
tetrapentylammonium bromide
866-97-7

tetrapentylammonium bromide

iron(III) chloride
7705-08-0

iron(III) chloride

sulfur
7704-34-9

sulfur

thiophenol
108-98-5

thiophenol

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

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

Conditions
ConditionsYield
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%
...Expand
ammonium tetrathiotungstate
13862-78-7

ammonium tetrathiotungstate

tetrapentylammonium bromide
866-97-7

tetrapentylammonium bromide

tetrapentylammonium thiotungstate

tetrapentylammonium thiotungstate

Conditions
ConditionsYield
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

ammonium tetrathiomolybdate

tetrapentylammonium bromide
866-97-7

tetrapentylammonium bromide

tetrapentylammonium thiomolybdate

tetrapentylammonium thiomolybdate

Conditions
ConditionsYield
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.;
sodium tetrafluoroborate
13755-29-8

sodium tetrafluoroborate

tetrapentylammonium bromide
866-97-7

tetrapentylammonium bromide

C20H44N(1+)*BF4(1-)

C20H44N(1+)*BF4(1-)

Conditions
ConditionsYield
In pentan-1-ol; water94.5%
propyl methanesulfonate
1912-31-8

propyl methanesulfonate

tetrapentylammonium bromide
866-97-7

tetrapentylammonium bromide

A

propyl bromide
106-94-5

propyl bromide

B

Methanesulfonatetetrapentyl-ammonium;
113369-05-4

Methanesulfonatetetrapentyl-ammonium;

Conditions
ConditionsYield
In benzene at 80℃;A n/a
B 92%
...Expand
trimethyltin(IV)chloride
1066-45-1

trimethyltin(IV)chloride

tetrapentylammonium bromide
866-97-7

tetrapentylammonium bromide

potassium hexacyanoferrate(III)

potassium hexacyanoferrate(III)

(C5H11)4N(1+)*2Sn(CH3)3(1+)*Fe(CN)6(3-)*0.5H2O=N(C5H11)4(Sn(CH3)3)2Fe(CN)6*0.5H2O

(C5H11)4N(1+)*2Sn(CH3)3(1+)*Fe(CN)6(3-)*0.5H2O=N(C5H11)4(Sn(CH3)3)2Fe(CN)6*0.5H2O

Conditions
ConditionsYield
In water soln. of Fe-complex in H2O was added under stirring to soln. of Sn-complex and ligand in H2O; filtered, washed with H2O, dried; elem. anal.;90.9%
...Expand
iron(III) chloride hexahydrate

iron(III) chloride hexahydrate

tetrapentylammonium bromide
866-97-7

tetrapentylammonium bromide

sulfur
7704-34-9

sulfur

thiophenol
108-98-5

thiophenol

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

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

Conditions
ConditionsYield
In acetonitrile addn. of PhSH to FeCl3*6H2O in CH3CN; addn. of the soln. to Triton X-100; addn. of the soln. to a stirred mixt. of sodium N-(tris(hydroxymethyl)methyl)-3-aminopropanesulfonate, solid S, and (C5H11)4NBr at pH 9; stirring at room temp. for 8-9 h; Ar atm.;; pptn. on standing at room temp. for 2-10 days; the ppt. was filtered off, washed with ether and then H2O and finally with ether; dried under vac.; elem. anal.;;87%
...Expand
3(CH3)3Sn(1+)*Co(CN)6(3-)=((CH3)3Sn)3[Co(CN)6]

3(CH3)3Sn(1+)*Co(CN)6(3-)=((CH3)3Sn)3[Co(CN)6]

tetrapentylammonium bromide
866-97-7

tetrapentylammonium bromide

(C5H11)4N(1+)*2Sn(CH3)3(1+)*Co(CN)6(3-)*0.5H2O=N(C5H11)4(Sn(CH3)3)2Co(CN)6*0.5H2O

(C5H11)4N(1+)*2Sn(CH3)3(1+)*Co(CN)6(3-)*0.5H2O=N(C5H11)4(Sn(CH3)3)2Co(CN)6*0.5H2O

Conditions
ConditionsYield
In water SnCo-complex was reacted with ligand in H2O, stirred for 12 h; filtered, washed with H2O, dried; elem. anal.;86.6%
potassium hexacyanocobaltate(III)

potassium hexacyanocobaltate(III)

trimethyltin(IV)chloride
1066-45-1

trimethyltin(IV)chloride

tetrapentylammonium bromide
866-97-7

tetrapentylammonium bromide

(C5H11)4N(1+)*2Sn(CH3)3(1+)*Co(CN)6(3-)*0.5H2O=N(C5H11)4(Sn(CH3)3)2Co(CN)6*0.5H2O

(C5H11)4N(1+)*2Sn(CH3)3(1+)*Co(CN)6(3-)*0.5H2O=N(C5H11)4(Sn(CH3)3)2Co(CN)6*0.5H2O

Conditions
ConditionsYield
In water soln. of Co-complex in H2O was added under stirring to soln. of Sn-complex and ligand in H2O; filtered, washed with H2O, dried; elem. anal.;86.2%
...Expand
[(Me3Sn)3Fe(CN)6]n

[(Me3Sn)3Fe(CN)6]n

tetrapentylammonium bromide
866-97-7

tetrapentylammonium bromide

(C5H11)4N(1+)*2Sn(CH3)3(1+)*Fe(CN)6(3-)*0.5H2O=N(C5H11)4(Sn(CH3)3)2Fe(CN)6*0.5H2O

(C5H11)4N(1+)*2Sn(CH3)3(1+)*Fe(CN)6(3-)*0.5H2O=N(C5H11)4(Sn(CH3)3)2Fe(CN)6*0.5H2O

Conditions
ConditionsYield
In water SnFe-complex was reacted with ligand in H2O, stirred for 12 h; filtered, washed with H2O, dried; elem. anal.;83.3%
vanadyl(IV) phthalocyanine
13930-88-6

vanadyl(IV) phthalocyanine

tetrapentylammonium bromide
866-97-7

tetrapentylammonium bromide

C32H16N8OV(1-)*C20H44N(1+)

C32H16N8OV(1-)*C20H44N(1+)

Conditions
ConditionsYield
With fluorenone radical anion sodium contact ion pair In 1,2-dichloro-benzene at 80℃; for 24h;83%
oxotitanium(IV) phthalocyanine
26201-32-1

oxotitanium(IV) phthalocyanine

tetrapentylammonium bromide
866-97-7

tetrapentylammonium bromide

C32H16N8OTi(1-)*C20H44N(1+)

C32H16N8OTi(1-)*C20H44N(1+)

Conditions
ConditionsYield
With fluorenone radical anion sodium contact ion pair In 1,2-dichloro-benzene at 80℃; for 24h;74%
iron(II) chloride tetrahydrate

iron(II) chloride tetrahydrate

Li3(N(CH2-o-C6H4S)3)

Li3(N(CH2-o-C6H4S)3)

carbon monoxide
201230-82-2

carbon monoxide

tetrapentylammonium bromide
866-97-7

tetrapentylammonium bromide

[(n-C5H11)4N]Fe(N(CH2-o-C6H4S)3)CO

[(n-C5H11)4N]Fe(N(CH2-o-C6H4S)3)CO

Conditions
ConditionsYield
In ethanol (under N2, Schlenk); EtOH soln. of FeCl2*4H2O and (C5H11)4NBr added to EtOH soln. of Li-salt, CO added into soln.; ppt. filtered, dried under CO atm.;73%
...Expand
vanadyl(IV) phthalocyanine
13930-88-6

vanadyl(IV) phthalocyanine

tetrapentylammonium bromide
866-97-7

tetrapentylammonium bromide

1,2-dichloro-benzene
95-50-1

1,2-dichloro-benzene

C32H16N8OV(1-)*C28H60N(1+)*C6H4Cl2

C32H16N8OV(1-)*C28H60N(1+)*C6H4Cl2

Conditions
ConditionsYield
With fluorenone radical anion sodium contact ion pair In 1,2-dichloro-benzene at 80℃; for 24h;72%
...Expand
2-phenylpyridine
1008-89-5

2-phenylpyridine

tetrapentylammonium bromide
866-97-7

tetrapentylammonium bromide

2-(3-pentylphenyl)pyridine

2-(3-pentylphenyl)pyridine

Conditions
ConditionsYield
With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; potassium 2,4,6-trimethylbenzoate; potassium hydroxide In toluene at 140℃; for 20h; Inert atmosphere; Glovebox;71%
1-methyl-4-nitrobenzene
99-99-0

1-methyl-4-nitrobenzene

tetrapentylammonium bromide
866-97-7

tetrapentylammonium bromide

2-butyl-6-methyl-3-propylquinoline

2-butyl-6-methyl-3-propylquinoline

Conditions
ConditionsYield
With tris(triphenylphosphine)ruthenium(II) chloride; tin(ll) chloride In toluene at 180℃; for 20h;62%
dimeric bis(tri-tert-butoxysilanethiolato)cadmium(II)

dimeric bis(tri-tert-butoxysilanethiolato)cadmium(II)

tetrapentylammonium bromide
866-97-7

tetrapentylammonium bromide

sodium diethyldithiocarbamate trihydrate
20624-25-3

sodium diethyldithiocarbamate trihydrate

[Cd(SSi(OBu(t))3)2(S2CNEt2)][(C5H11)4N]
1105516-52-6

[Cd(SSi(OBu(t))3)2(S2CNEt2)][(C5H11)4N]

Conditions
ConditionsYield
In water; toluene aq. soln. Et2NCS2Na and (C5H11)4NBr was added to soln. Cd complex in hottoluene and shaked for 4 h; org. layer was separated, washed with water and dried over MgSO4, soln. was evapd. to dryness, residue was recrystd. from toluene; elem. anal.;62%
...Expand
5-nitro-m-xylene
99-12-7

5-nitro-m-xylene

tetrapentylammonium bromide
866-97-7

tetrapentylammonium bromide

2-butyl-5,7-dimethyl-3-propylquinoline

2-butyl-5,7-dimethyl-3-propylquinoline

Conditions
ConditionsYield
With tris(triphenylphosphine)ruthenium(II) chloride; tin(ll) chloride In 1,4-dioxane at 180℃; for 20h;61%
C6H5NCPd(P(C2H5)3)2CCPd(P(C2H5)3)2CNC6H5(2+)*2PF6(1-)=C40H70N2P4Pd2(2+)*2PF6(1-)

C6H5NCPd(P(C2H5)3)2CCPd(P(C2H5)3)2CNC6H5(2+)*2PF6(1-)=C40H70N2P4Pd2(2+)*2PF6(1-)

tetrapentylammonium bromide
866-97-7

tetrapentylammonium bromide

Br(P(C2H5)3)2PdCC(CNC6H5)2Pd(P(C2H5)3)2Br=C40H70Br2N2P4Pd2

Br(P(C2H5)3)2PdCC(CNC6H5)2Pd(P(C2H5)3)2Br=C40H70Br2N2P4Pd2

Conditions
ConditionsYield
In acetone stirring at room temp. under nitrogen atm. for 24 h; evapd. to dryness in vac.; chromy. (alumina, benzene-dichloromethane), recrystn. from dichloromethane-hexane, elem. anal.;60%
2,3,6,7,10,11-hexahydroxy-12d-methyltribenzotriquinacene

2,3,6,7,10,11-hexahydroxy-12d-methyltribenzotriquinacene

tetrapentylammonium bromide
866-97-7

tetrapentylammonium bromide

4C23H18O6*3C20H44N(1+)*3Br(1-)

4C23H18O6*3C20H44N(1+)*3Br(1-)

Conditions
ConditionsYield
In methanol for 48h; Inert atmosphere;60%
tetrapentylammonium bromide
866-97-7

tetrapentylammonium bromide

2-(N-benzylamino)-3-methylpyridine
70720-38-6

2-(N-benzylamino)-3-methylpyridine

3-methyl-N-(1-phenylhexyl)pyridin-2-amine

3-methyl-N-(1-phenylhexyl)pyridin-2-amine

Conditions
ConditionsYield
With chloro(1,5-cyclooctadiene)rhodium(I) dimer; potassium hydroxide In toluene at 140℃; for 16h; Inert atmosphere; Glovebox;58%
With chloro(1,5-cyclooctadiene)rhodium(I) dimer; potassium hydroxide In toluene at 140℃; for 16h; Inert atmosphere; Glovebox;58%
3(CH3)3Sn(1+)*Ir(CN)6(3-)=((CH3)3Sn)3[Ir(CN)6]

3(CH3)3Sn(1+)*Ir(CN)6(3-)=((CH3)3Sn)3[Ir(CN)6]

tetrapentylammonium bromide
866-97-7

tetrapentylammonium bromide

A

(CH3)3Sn(H2O)(1+)
129732-09-8

(CH3)3Sn(H2O)(1+)

B

(C5H11)4N(1+)*((CH3)3Sn(H2O)NC)2Ir(CN)4(1-)=[(C5H11)4N][((CH3)3Sn(H2O)NC)2Ir(CN)4]

(C5H11)4N(1+)*((CH3)3Sn(H2O)NC)2Ir(CN)4(1-)=[(C5H11)4N][((CH3)3Sn(H2O)NC)2Ir(CN)4]

Conditions
ConditionsYield
In water (Me3Sn)3Ir(CN)6 suspended in soln. of (n-C5H11)4NBr in H2O; stirred; filtered; washed (cold H2O); dried; elem. anal.;A n/a
B 50%
...Expand
tetrapentylammonium bromide
866-97-7

tetrapentylammonium bromide

nitrobenzene
98-95-3

nitrobenzene

2-n-butyl-3-n-propylquinoline
1531-51-7

2-n-butyl-3-n-propylquinoline

Conditions
ConditionsYield
With tris(triphenylphosphine)ruthenium(II) chloride; tin(ll) chloride In 1,4-dioxane at 180℃; for 20h;46%
triphenyltin(IV) trifluoroacetate

triphenyltin(IV) trifluoroacetate

tetrapentylammonium bromide
866-97-7

tetrapentylammonium bromide

[(C5H11)4N](1+)*[(C6H5)3SnOCOCF3(Br)](1-) = [(C5H11)4N][(C6H5)3SnOCOCF3(Br)]
101214-73-7

[(C5H11)4N](1+)*[(C6H5)3SnOCOCF3(Br)](1-) = [(C5H11)4N][(C6H5)3SnOCOCF3(Br)]

Conditions
ConditionsYield
In methanol (N2), mixture refluxed for 4 h; soln. concd., crystals washed with ether/pet. (40-60°C), dried in vacuo, elem. anal.;

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

1.    

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 NOx, NH3, and Br−. Hygroscopic. See also BROMIDES.
Hazard Codes: IrritantXi
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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