Product Name

  • Name

    Hexadecyl trimethyl ammonium bromide

  • EINECS 200-311-3
  • CAS No. 57-09-0
  • Article Data44
  • CAS DataBase
  • Density 1.1107 (rough estimate)
  • Solubility H2O: 50 mg/mL
  • Melting Point 248-251 °C(lit.)
  • Formula C19H42BrN
  • Boiling Point
  • Molecular Weight 476.914
  • Flash Point 244 °C
  • Transport Information UN 3077 9/PG 3
  • Appearance white powder
  • Safety 26-39-61-37/39-60-36
  • Risk Codes 22-37/38-41-50-50/53-36/37/38
  • Molecular Structure Molecular Structure of 57-09-0 (Hexadecyl trimethyl ammonium bromide)
  • Hazard Symbols HarmfulXn, DangerousN
  • Synonyms 1-Hexadecanaminium,N,N,N-trimethyl-, bromide (9CI);Ammonium, hexadecyltrimethyl-, bromide (8CI);CTAB;CTMB;Catinal HTB 70ET;Cirrasol OD;HDTMA-Br;HTAB;Lissolamine;Micol;N,N,N-Trimethyl-1-hexadecanaminium bromide;N-Cetyl-N,N,N-trimethylammonium bromide;N-Hexadecyl-N,N,N-trimethylammonium bromide;Palmityltrimethylammoniumbromide;Pollacid;Softex KW;Trimethylhexadecylammonium bromide;
  • PSA 0.00000
  • LogP 3.17790

Synthetic route

hexadecanyl bromide
112-82-3

hexadecanyl bromide

trimethylamine
75-50-3

trimethylamine

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

Conditions
ConditionsYield
With methanol
With ethanol
With ethanol at 115℃;
C19H42N(1+)*C10H7N4O9(1-)

C19H42N(1+)*C10H7N4O9(1-)

A

1,3,6,8-tetranitronaphthalene
28995-89-3

1,3,6,8-tetranitronaphthalene

B

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

Conditions
ConditionsYield
In 1,4-dioxane at 25℃; Equilibrium constant;
hexadecyltrimethylammonium cyanide
74784-26-2

hexadecyltrimethylammonium cyanide

A

sodium cyanide
143-33-9

sodium cyanide

B

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

Conditions
ConditionsYield
With sodium bromide In water at 20℃; Equilibrium constant;
4-(4-Dimethylamino-phenylazo)-benzenesulfonatehexadecyl-trimethyl-ammonium;
99023-50-4

4-(4-Dimethylamino-phenylazo)-benzenesulfonatehexadecyl-trimethyl-ammonium;

A

methyl orange
547-58-0

methyl orange

B

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

Conditions
ConditionsYield
With sodium bromide at 19.9℃; Equilibrium constant; var. temps.;
ethyl bromide
74-96-4

ethyl bromide

N,N-dimethylhexadecylamine
112-69-6

N,N-dimethylhexadecylamine

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

2Br(1-)*C4H5N2(1-)*C19H42N(1+)*Zn(2+)

2Br(1-)*C4H5N2(1-)*C19H42N(1+)*Zn(2+)

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

Conditions
ConditionsYield
In ethanol at 80℃; for 0.0833333h; Sonication;
cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

cetyltrimethylammonium hydroxide
505-86-2

cetyltrimethylammonium hydroxide

Conditions
ConditionsYield
With Amberlyst A-26(OH-)form In methanol100%
With Amberlite CG-400 resin
With Amberlite IRA-900 In methanol
trimethyl sulphoxonium

trimethyl sulphoxonium

4'-fluoro-2-(1H-1,2,4-triazol-1-yl)propiophenone hydrochloride

4'-fluoro-2-(1H-1,2,4-triazol-1-yl)propiophenone hydrochloride

1,1,1-trichloroethane
71-55-6

1,1,1-trichloroethane

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

2-(4-fluorophenyl)-2-[1-(1H-1,2,4-triazol-1-yl)ethyl]oxirane

2-(4-fluorophenyl)-2-[1-(1H-1,2,4-triazol-1-yl)ethyl]oxirane

Conditions
ConditionsYield
With sodium hydroxide99%
cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

cetyltrimethylammonium tribromide

cetyltrimethylammonium tribromide

Conditions
ConditionsYield
With sulfuric acid; dihydrogen peroxide; potassium bromide; molybdic acid In water at 0 - 20℃; for 0.916667 - 3.5h; Product distribution / selectivity;98.86%
potassium dichromate

potassium dichromate

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

cetyl-trimethylammonium dichromate

cetyl-trimethylammonium dichromate

Conditions
ConditionsYield
In H2O synthesized by treating K2Cr2O7 in aqueous solution of ammonium-compd.; isolated, washed with H2O, dried in vac., kept in a dark bottle inside adesiccator, elem. anal.;98%
iron(III) chloride

iron(III) chloride

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

cethyltrimethylammonium bromide

cethyltrimethylammonium bromide

Conditions
ConditionsYield
In methanol at 20℃; for 12h; Inert atmosphere;98%
cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

cetyltrimethylammonium tribromide

cetyltrimethylammonium tribromide

Conditions
ConditionsYield
With bromine In water97%
With dihydrogen peroxide; vanadia at 5℃; Yield given;
cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

cetyl trimethylammonium tribromide
52752-51-9

cetyl trimethylammonium tribromide

Conditions
ConditionsYield
With dihydrogen peroxide; sodium carbonate; potassium bromide In water at 20℃; for 0.0833333h;96%
With 3-chloro-benzenecarboperoxoic acid; potassium bromide In water for 0.1h;90%
With potassium peroxymonosulfate; sodium bromide In water for 1h;90%
cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

N,N,N-trimethylhexadecylammonium iodide
7192-88-3

N,N,N-trimethylhexadecylammonium iodide

Conditions
ConditionsYield
With potassium iodide In water95%
cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

cetyltrimethylammonium peroxodisulphate

cetyltrimethylammonium peroxodisulphate

Conditions
ConditionsYield
With dipotassium peroxodisulfate In water93%
With dipotassium peroxodisulfate In water at 20℃; for 0.333333h;92%
With dipotassium peroxodisulfate In water
cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

bis(trifluoromethane)sulfonimide lithium
90076-65-6

bis(trifluoromethane)sulfonimide lithium

N,N′,N′′,N′′′-hexadecyltrimethylammonium bis(trifluoromethylsulfonyl)imide
1031250-01-7

N,N′,N′′,N′′′-hexadecyltrimethylammonium bis(trifluoromethylsulfonyl)imide

Conditions
ConditionsYield
In water at 20℃; for 1h;93%
potassium permanganate
7722-64-7

potassium permanganate

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

cethyltrimethylammonium permanganate
73257-07-5

cethyltrimethylammonium permanganate

Conditions
ConditionsYield
In H2O ammonium-compd. stirred with an equivalent amount of KMnO4 in H2O; separated, washed with H2O;92%
In water pptn.; from lit. Int. J. Chem. Kinet. 27 (7) (1995) 627;
In water pptn. of an aq. soln. of cetyltrimethylammonium bromide with a satd. soln. of KMnO4; washed (cold water), dried for several hours under vac.;
potassium permanganate
7722-64-7

potassium permanganate

sodium tungstate (VI) dihydrate
10213-10-2

sodium tungstate (VI) dihydrate

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

boric acid
11113-50-1

boric acid

4C16H33(CH3)3N(1+)*2H(1+)*Mn(3+)*H2O*BW11O39(9-)*10H2O=[C16H33(CH3)3N]4H2[Mn(H2O)BW11O39]*10H2O

4C16H33(CH3)3N(1+)*2H(1+)*Mn(3+)*H2O*BW11O39(9-)*10H2O=[C16H33(CH3)3N]4H2[Mn(H2O)BW11O39]*10H2O

Conditions
ConditionsYield
In water; 1,2-dichloro-ethane Mn and W salts mixed in H2O, treated with H3BO3, treated dropwise with excess of hexadecyltrimethylammonium bromide in water with stirring at 80-85°C; washed(water), dried (vac.), elem. anal.;92%
indigo 5,5'-disulfonic acid
483-20-5

indigo 5,5'-disulfonic acid

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

C16H8N2O8S2(2-)*2C19H42N(1+)

C16H8N2O8S2(2-)*2C19H42N(1+)

Conditions
ConditionsYield
In water at 80℃; for 2h;92%
bismuth(III) nitrate

bismuth(III) nitrate

water
7732-18-5

water

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

cetyltrimethylammonium chloride
112-02-7

cetyltrimethylammonium chloride

BiOCl0.8Br0.2

BiOCl0.8Br0.2

Conditions
ConditionsYield
With acetic acid at 20℃; for 0.5h;91%
ammonium cerium (IV) nitrate
16774-21-3

ammonium cerium (IV) nitrate

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

cetyltrimethylammonium cerium nitrate

cetyltrimethylammonium cerium nitrate

Conditions
ConditionsYield
In H2O Ce-compd. in H2O added slowly to ammonium-compd. in H2O with continuous stirring, stirred for 30 min; filtered, washed with chilled H2O, dried in vac., kept in a dark bottle inside a desiccator, elem. anal.;90%
potassium hexacyanoruthenate(II)

potassium hexacyanoruthenate(II)

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

4(CH3)3N(CH2)15CH3(1+)*Ru(CN)6(4-)=[(CH3)3N(CH2)15CH3]4[Ru(CN)6]

4(CH3)3N(CH2)15CH3(1+)*Ru(CN)6(4-)=[(CH3)3N(CH2)15CH3]4[Ru(CN)6]

Conditions
ConditionsYield
In methanol pptn. on addn. of 4 equiv. ammonium salt to Ru-complex (stirring); water addn., stirring for 10 min, collection (filtration), washing (water, MeOH, ether), drying (vac.);86%
potassium tetrachloroplatinate(II)
10025-99-7

potassium tetrachloroplatinate(II)

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

2(CH3)3(C16H33)N(1+)*PtCl4(2-) = [(CH3)3(C16H33)N]2[PtCl4]

2(CH3)3(C16H33)N(1+)*PtCl4(2-) = [(CH3)3(C16H33)N]2[PtCl4]

Conditions
ConditionsYield
In water at 20℃; for 6h;86%
[1,3]-dioxolan-2-one
96-49-1

[1,3]-dioxolan-2-one

2,4-dihydroxybenzophenone
131-56-6

2,4-dihydroxybenzophenone

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

2-hydroxy-4-(2'-hydroxyethoxy)benzophenone
16909-78-7

2-hydroxy-4-(2'-hydroxyethoxy)benzophenone

Conditions
ConditionsYield
In water85%
1,5-bis-(1-phenyl-3-methyl-2-pyrazol-5-on-4-yl)-1,5-pentanedione
122835-10-3

1,5-bis-(1-phenyl-3-methyl-2-pyrazol-5-on-4-yl)-1,5-pentanedione

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

neodymium trichloride
10024-93-8

neodymium trichloride

{C16H33(CH3)3N}(1+)*{NdO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4}(1-)=C16H33(CH3)3NNdO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4

{C16H33(CH3)3N}(1+)*{NdO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4}(1-)=C16H33(CH3)3NNdO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4

Conditions
ConditionsYield
With NaOH In ethanol the pentadione-derivate and cetyltrimethyl ammonium bromide are dissolved in EtOH/NaOH and the pH of this soln. is adjusted to 8-9, lanthanide chloride is added, stirring for 2 h at room temp.; distilled water is added into the mother soln., the ppt. is centrifugally separated, the ppt. is washed with 50% EtOH and water, the product is dried at 50°C in a vac. dryer, elem. anal.;85%
1,5-bis-(1-phenyl-3-methyl-2-pyrazol-5-on-4-yl)-1,5-pentanedione
122835-10-3

1,5-bis-(1-phenyl-3-methyl-2-pyrazol-5-on-4-yl)-1,5-pentanedione

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

yttrium(III) chloride
10361-92-9

yttrium(III) chloride

{C16H33(CH3)3N}(1+)*{YO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4}(1-)=C16H33(CH3)3NYO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4

{C16H33(CH3)3N}(1+)*{YO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4}(1-)=C16H33(CH3)3NYO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4

Conditions
ConditionsYield
With NaOH In ethanol the pentadione-derivate and cetyltrimethyl ammonium bromide are dissolved in EtOH/NaOH and the pH of this soln. is adjusted to 8-9, YCl3 is added, stirring for 2 h at room temp.; distilled water is added into the mother soln., the ppt. is centrifugally separated, the ppt. is washed with 50% EtOH and water, the product is dried at 50°C in a vac. dryer, elem. anal.;85%
1,5-bis-(1-phenyl-3-methyl-2-pyrazol-5-on-4-yl)-1,5-pentanedione
122835-10-3

1,5-bis-(1-phenyl-3-methyl-2-pyrazol-5-on-4-yl)-1,5-pentanedione

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

praseodymium(III) chloride
10361-79-2

praseodymium(III) chloride

{C16H33(CH3)3N}(1+)*{PrO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4}(1-)=C16H33(CH3)3NPrO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4

{C16H33(CH3)3N}(1+)*{PrO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4}(1-)=C16H33(CH3)3NPrO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4

Conditions
ConditionsYield
With NaOH In ethanol the pentadione-derivate and cetyltrimethyl ammonium bromide are dissolved in EtOH/NaOH and the pH of this soln. is adjusted to 8-9, lanthanide chloride is added, stirring for 2 h at room temp.; distilled water is added into the mother soln., the ppt. is centrifugally separated, the ppt. is washed with 50% EtOH and water, the product is dried at 50°C in a vac. dryer, elem. anal.;85%
(RS)-2-(4-chloro-o-tolyloxy)propionic acid
93-65-2

(RS)-2-(4-chloro-o-tolyloxy)propionic acid

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

hexadecyltrimethylammonium (+/-)-2-(4-chloro-2-methylphenoxy)propionate
1354726-01-4

hexadecyltrimethylammonium (+/-)-2-(4-chloro-2-methylphenoxy)propionate

Conditions
ConditionsYield
Stage #1: (RS)-2-(4-chloro-o-tolyloxy)propionic acid With sodium hydroxide In water at 49.84℃;
Stage #2: cetyltrimethylammonim bromide In water for 2h;
85%
5,10-dihydroindeno[1,2-b]indole
3254-91-9

5,10-dihydroindeno[1,2-b]indole

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

5-Methyl-5,10-dihydroindeno[1,2-b]indole
7428-85-5

5-Methyl-5,10-dihydroindeno[1,2-b]indole

Conditions
ConditionsYield
With methyl iodide In sodium hydroxide; benzene84%
1,5-bis-(1-phenyl-3-methyl-2-pyrazol-5-on-4-yl)-1,5-pentanedione
122835-10-3

1,5-bis-(1-phenyl-3-methyl-2-pyrazol-5-on-4-yl)-1,5-pentanedione

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

lanthanum(III) chloride
10099-58-8

lanthanum(III) chloride

{C16H33(CH3)3N}(1+)*{LaO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4}(1-)=C16H33(CH3)3NLaO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4

{C16H33(CH3)3N}(1+)*{LaO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4}(1-)=C16H33(CH3)3NLaO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4

Conditions
ConditionsYield
With NaOH In ethanol the pentadione-derivate and cetyltrimethyl ammonium bromide are dissolved in EtOH/NaOH and the pH of this soln. is adjusted to 8-9, lanthanide chloride is added, stirring for 2 h at room temp.; distd. water is added into the mother soln., the ppt. is centrifugally separated, the ppt. is washed with 50% EtOH and water, the product is dried at 50°C in a vac. dryer, elem. anal.;84%
dysprosium(III) trichloride
10025-74-8

dysprosium(III) trichloride

1,5-bis-(1-phenyl-3-methyl-2-pyrazol-5-on-4-yl)-1,5-pentanedione
122835-10-3

1,5-bis-(1-phenyl-3-methyl-2-pyrazol-5-on-4-yl)-1,5-pentanedione

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

{C16H33(CH3)3N}(1+)*{DyO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4}(1-)=C16H33(CH3)3NDyO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4

{C16H33(CH3)3N}(1+)*{DyO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4}(1-)=C16H33(CH3)3NDyO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4

Conditions
ConditionsYield
With NaOH In ethanol the pentadione-derivate and cetyltrimethyl ammonium bromide are dissolved in EtOH/NaOH and the pH of this soln. is adjusted to 8-9, lanthanide chloride is added, stirring for 2 h at room temp.; distilled water is added into the mother soln., the ppt. is centrifugally separated, the ppt. is washed with 50% EtOH and water, the product is dried at 50°C in a vac. dryer, elem. anal.;83%
1,5-bis-(1-phenyl-3-methyl-2-pyrazol-5-on-4-yl)-1,5-pentanedione
122835-10-3

1,5-bis-(1-phenyl-3-methyl-2-pyrazol-5-on-4-yl)-1,5-pentanedione

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

gadolinium(III) chloride
10138-52-0

gadolinium(III) chloride

{C16H33(CH3)3N}(1+)*{GdO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4}(1-)=C16H33(CH3)3NGdO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4

{C16H33(CH3)3N}(1+)*{GdO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4}(1-)=C16H33(CH3)3NGdO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4

Conditions
ConditionsYield
With NaOH In ethanol the pentadione-derivate and cetyltrimethyl ammonium bromide are dissolved in EtOH/NaOH and the pH of this soln. is adjusted to 8-9, lanthanide chloride is added, stirring for 2 h at room temp.; distilled water is added into the mother soln., the ppt. is centrifugally separated, the ppt. is washed with 50% EtOH and water, the product is dried at 50°C in a vac. dryer, elem. anal.;82%
1,5-bis-(1-phenyl-3-methyl-2-pyrazol-5-on-4-yl)-1,5-pentanedione
122835-10-3

1,5-bis-(1-phenyl-3-methyl-2-pyrazol-5-on-4-yl)-1,5-pentanedione

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

terbium(III) chloride
10042-88-3

terbium(III) chloride

{C16H33(CH3)3N}(1+)*{TbO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4}(1-)=C16H33(CH3)3NTbO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4

{C16H33(CH3)3N}(1+)*{TbO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4}(1-)=C16H33(CH3)3NTbO8(C6H5)4(CH3)4(CC3H6C)2(C3N2)4

Conditions
ConditionsYield
With NaOH In ethanol the pentadione-derivate and cetyltrimethyl ammonium bromide are dissolved in EtOH/NaOH and the pH of this soln. is adjusted to 8-9, lanthanide chloride is added, stirring for 2 h at room temp.; distilled water is added into the mother soln., the ppt. is centrifugally separated, the ppt. is washed with 50% EtOH and water, the product is dried at 50°C in a vac. dryer, elem. anal.;82%
sodium molybdate dihydrate
7631-95-0

sodium molybdate dihydrate

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

oxalic acid dihydrate
6153-56-6

oxalic acid dihydrate

C2MoO9(2-)*H2O*2C19H42N(1+)

C2MoO9(2-)*H2O*2C19H42N(1+)

Conditions
ConditionsYield
Stage #1: sodium molybdate dihydrate With sulfuric acid; dihydrogen peroxide In water pH=2;
Stage #2: cetyltrimethylammonim bromide; oxalic acid dihydrate In water for 0.0833333h; pH=2; Cooling with ice;
82%
sodium molybdate dihydrate
7631-95-0

sodium molybdate dihydrate

dihydrogen peroxide
7722-84-1

dihydrogen peroxide

cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

oxalic acid
144-62-7

oxalic acid

C2MoO9(2-)*2C19H42N(1+)

C2MoO9(2-)*2C19H42N(1+)

Conditions
ConditionsYield
Stage #1: sodium molybdate dihydrate; dihydrogen peroxide With sulfuric acid In water pH=2;
Stage #2: cetyltrimethylammonim bromide; oxalic acid In water for 0.0833333h; pH=2; Cooling with ice;
82%
cetyltrimethylammonim bromide
57-09-0

cetyltrimethylammonim bromide

cetyltrimethylammonium hypochlorite
1346270-26-5

cetyltrimethylammonium hypochlorite

Conditions
ConditionsYield
With sodium hypochlorite; chlorine In dichloromethane at 20℃;81%

Hexadecyl trimethyl ammonium bromide Chemical Properties


IUPAC Name: Hexadecyl(trimethyl)azanium bromide
Canonical SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
InChI: InChI=1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4; /h5-19H2,1-4H3; 1H/q+1; /p-1
InChIKey: LZZYPRNAOMGNLH-UHFFFAOYSA-M
Molecular Weight: 364.44748 [g/mol]
Molecular Formula: C19H42BrN
H-Bond Donor: 0
H-Bond Acceptor: 1 
EINECS: 200-311-3 
Melting Point: 248-251 °C(lit.)
Flash Point: 244 °C
Storage temp.: Store at RT.
Solubility: H2O: 50 mg/mL
Sensitive: Hygroscopic
Stability: Stable. Incompatible with strong oxidizing agents. Protect from moisture.
Product Categories: Organics; Ammonium Bromides (Quaternary); Biochemistry; Cationic Surfactants (for Biochemistry); Quaternary Ammonium Compounds; Surfactants (for Biochemistry) 
Appearance: white powder
Classification Code of Hexadecanyltrimethylammonium bromide (CAS NO.57-09-0): Agricultural Chemical; Drug / Therapeutic Agent; Germicide, bactericide, disinfectant; Reproductive Effect; Skin / Eye Irritant

Hexadecyl trimethyl ammonium bromide Uses

 Hexadecanyltrimethylammonium bromide (CAS NO.57-09-0) is a cationic surfactant. Its uses include providing a buffer solution for the extraction of DNA. It has been widely used in synthesis of gold nanoparticles (e.g., spheres, rods, bipyramids). It is also widely used in hair conditioning products.

Hexadecyl trimethyl ammonium bromide Toxicity Data With Reference

1.    

skn-mus 50 mg/1H open

    BJDEAZ    British Journal of Dermatology. 86 (1972),361.
2.    

eye-rbt 450 mg SEV

    AROPAW    Archives of Ophthalmology. 40 (1948),668.
3.    

orl-rat LD50:410 mg/kg

    YKYUA6    Yakkyoku. Pharmacy. 31 (1980),471.
4.    

ivn-rat LD50:44 mg/kg

    APTOA6    Acta Pharmacologica et Toxicologica. 47 (1980),17.
5.    

ipr-mus LD50:106 mg/kg

    FCTXAV    Food and Cosmetics Toxicology. 13 (1975),331.
6.    

ivn-mus LD50:32 mg/kg

    APTOA6    Acta Pharmacologica et Toxicologica. 47 (1980),17.
7.    

ipr-rbt LD50:125 mg/kg

    PCOC**    Pesticide Chemicals Official Compendium ,Association of the American Pesticide Control Officials, Inc.(Topeka, KS.: )1966,210.
8.    

scu-rbt LD50:125 mg/kg

    PCOC**    Pesticide Chemicals Official Compendium ,Association of the American Pesticide Control Officials, Inc.(Topeka, KS.: )1966,210.
9.    

scu-gpg LD50:100 mg/kg

    28ZEAL    Pesticide Index. 5 (1976),40.

Hexadecyl trimethyl ammonium bromide Consensus Reports

Reported in EPA TSCA Inventory.

Hexadecyl trimethyl ammonium bromide Safety Profile

A poison by ingestion, intravenous, intraperitoneal, and subcutaneous routes. Experimental teratogenic and reproductive effects. A skin and severe eye irritant. When heated to decomposition it emits very toxic fumes of NH3, NOx, and Br.
Hazard Codes:   Xn,  N
Risk Statements:
22:  Harmful if swallowed 
41:  Risk of serious damage to eyes 
50:  Very Toxic to aquatic organisms 
36/37/38:  Irritating to eyes, respiratory system and skin 
37/38:  Irritating to respiratory system and skin 
50/53:  Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment 
Safety Statements:
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
36:  Wear suitable protective clothing 
39:  Wear eye/face protection 
60:  This material and/or its container must be disposed of as hazardous waste 
61:  Avoid release to the environment. Refer to special instructions safety data sheet 
37/39:  Wear suitable gloves and eye/face protection 
RIDADR: UN 3077 9/PG 3
WGK Germany: 3
RTECS: BQ7875000
F: 3
HazardClass: 9

Hexadecyl trimethyl ammonium bromide Specification

  Hexadecanyltrimethylammonium bromide (CAS NO.57-09-0), its Synonyms are 1-Hexadecanaminium, N,N,N-trimethyl-, bromide ; CETAB ; Cetrimonium bromide ; Cetyl trimethyl ammonium bromide ; N,N,N-Trimethyl-1-hexadecanaminium bromide ; (1-Hexadecyl)trimethylammonium bromide ; 1-Hexadecanaminium, N,N,N-trimethyl-, bromide ; AI3-12209 ; Acetoquat CTAB ; Bromat ; Bromure de cetrimonium ; Suticide ; Trimethylcetylammonium bromide ; Trimethylhexadecylammonium bromide ; 1-Hexadecanaminium, N,N,N-trimethyl-, bromide (1:1) .

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