Product Name

  • Name

    1-Bromooctadecane

  • EINECS 204-013-4
  • CAS No. 112-89-0
  • Article Data23
  • CAS DataBase
  • Density 0.983 g/cm3
  • Solubility insoluble
  • Melting Point 25-30 °C(lit.)
  • Formula C18H37Br
  • Boiling Point 370.2 °C at 760 mmHg
  • Molecular Weight 333.396
  • Flash Point 150.7 °C
  • Transport Information
  • Appearance yellowish low melting solid
  • Safety 22-24/25
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 112-89-0 (1-Bromooctadecane)
  • Hazard Symbols
  • Synonyms NSC 5542;Octadecyl bromide;Stearyl bromide;n-Octadecyl bromide;
  • PSA 0.00000
  • LogP 7.64280

Synthetic route

1-octadecanol
112-92-5

1-octadecanol

2,4,4,6-Tetrabromo-2,5-cyclohexadien-1-one
20244-61-5

2,4,4,6-Tetrabromo-2,5-cyclohexadien-1-one

1-Bromooctadecane
112-89-0

1-Bromooctadecane

Conditions
ConditionsYield
With triphenylphosphine In dichloromethane for 4h; Ambient temperature;99%
1-(tert-butyldimethylsilyloxy)octadecan
65598-00-7

1-(tert-butyldimethylsilyloxy)octadecan

1-Bromooctadecane
112-89-0

1-Bromooctadecane

Conditions
ConditionsYield
With 2,4,4,6-Tetrabromo-2,5-cyclohexadien-1-one; triphenylphosphine; calcium carbonate In 1,2-dichloro-ethane for 3.5h; Ambient temperature;99%
2,4,4,6-Tetrabromo-2,5-cyclohexadien-1-one
20244-61-5

2,4,4,6-Tetrabromo-2,5-cyclohexadien-1-one

2-(octadecyloxy)tetrahydro-2H-pyran
66938-10-1

2-(octadecyloxy)tetrahydro-2H-pyran

1-Bromooctadecane
112-89-0

1-Bromooctadecane

Conditions
ConditionsYield
With triphenylphosphine In dichloromethane for 2h; Ambient temperature;98%
1-octadecanol
112-92-5

1-octadecanol

1-Bromooctadecane
112-89-0

1-Bromooctadecane

Conditions
ConditionsYield
With carbon tetrabromide; triphenylphosphine In dichloromethane at 0 - 20℃;97%
With Amberlite IRA 93 (PBr3 form) In diethyl ether for 6h; Ambient temperature;96%
With carbon tetrabromide; triphenylphosphine In dichloromethane at 20℃;96%
1-octadecanol, trimethylsilyl ether
18748-98-6

1-octadecanol, trimethylsilyl ether

1-Bromooctadecane
112-89-0

1-Bromooctadecane

Conditions
ConditionsYield
With 2,4,4,6-Tetrabromo-2,5-cyclohexadien-1-one; triphenylphosphine; calcium carbonate In tetrahydrofuran; acetonitrile for 3h; Ambient temperature;97%
Triethyl-octadecyloxy-silane
65598-06-3

Triethyl-octadecyloxy-silane

1-Bromooctadecane
112-89-0

1-Bromooctadecane

Conditions
ConditionsYield
With 2,4,4,6-Tetrabromo-2,5-cyclohexadien-1-one; triphenylphosphine; calcium carbonate In tetrahydrofuran; acetonitrile for 2h; Ambient temperature;92%
thiocarbonic acid O-(4-chloro-phenyl) ester O-octadecyl ester
62008-64-4

thiocarbonic acid O-(4-chloro-phenyl) ester O-octadecyl ester

1-Bromooctadecane
112-89-0

1-Bromooctadecane

Conditions
ConditionsYield
With bromine
trifluoroacetate 1-octadecanol
79392-43-1

trifluoroacetate 1-octadecanol

1-Bromooctadecane
112-89-0

1-Bromooctadecane

Conditions
ConditionsYield
With lithium bromide In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide for 3h; Heating; Yield given;
mercury (II)-salt of/the/ nonadecanoic acid

mercury (II)-salt of/the/ nonadecanoic acid

1-Bromooctadecane
112-89-0

1-Bromooctadecane

Conditions
ConditionsYield
With tetrachloromethane; bromine
1-octadecyl methanesulfonate
31081-59-1

1-octadecyl methanesulfonate

1-Bromooctadecane
112-89-0

1-Bromooctadecane

Conditions
ConditionsYield
With sodium bromide
1-octadecanol
112-92-5

1-octadecanol

alkali alkylate

alkali alkylate

1-Bromooctadecane
112-89-0

1-Bromooctadecane

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: tetrahydrofuran / 0.25 h / Ambient temperature
2: LiBr / tetrahydrofuran; hexamethylphosphoric acid triamide / 3 h / Heating
View Scheme
N-palmitoyl-(L)-cysteine
67603-49-0

N-palmitoyl-(L)-cysteine

1-Bromooctadecane
112-89-0

1-Bromooctadecane

2,2'-iminobis[ethanol]
111-42-2

2,2'-iminobis[ethanol]

1-Bromooctadecane
112-89-0

1-Bromooctadecane

N,N-diethanolstearylamine
10213-78-2

N,N-diethanolstearylamine

Conditions
ConditionsYield
In acetonitrile Heating;100%
With potassium carbonate; potassium iodide In acetonitrile100%
With potassium hydrogencarbonate; potassium iodide In acetonitrile for 3h; Heating / reflux;100%
With 2-pentanol das Hydrobromid ensteht;
sodium trithiocarbonate
534-18-9

sodium trithiocarbonate

1-Bromooctadecane
112-89-0

1-Bromooctadecane

trithiocarbonic acid dioctadecyl ester

trithiocarbonic acid dioctadecyl ester

Conditions
ConditionsYield
Aliquat 336 at 70℃; for 3h;100%
1-Bromooctadecane
112-89-0

1-Bromooctadecane

2-hydroxynitrobenzene
88-75-5

2-hydroxynitrobenzene

1-nitro-2-octadecyloxy-benzene
86996-83-0

1-nitro-2-octadecyloxy-benzene

Conditions
ConditionsYield
With 18-crown-6 ether; tetra-(n-butyl)ammonium iodide; potassium carbonate In acetonitrile at 20 - 80℃; Inert atmosphere;100%
With 18-crown-6 ether; tetra-(n-butyl)ammonium iodide; potassium carbonate In acetonitrile at 20 - 80℃; Inert atmosphere;100%
With sodium hydride In N,N-dimethyl-formamide 1.) 0 deg C, 1 h, 2.) reflux, 24 h;60%
With potassium carbonate In acetone
methyl galloate
99-24-1

methyl galloate

1-Bromooctadecane
112-89-0

1-Bromooctadecane

methyl [3,4,5-tris(n-octadecan-1-yloxy)]benzoate
188685-33-8

methyl [3,4,5-tris(n-octadecan-1-yloxy)]benzoate

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 90℃; for 16h;100%
With potassium carbonate In dimethyl sulfoxide; toluene at 60℃; for 24h;98%
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 18h;98%
Methyl thioglycolate
2365-48-2

Methyl thioglycolate

1-Bromooctadecane
112-89-0

1-Bromooctadecane

methyl 2-(octadecylthio)acetate
130614-27-6

methyl 2-(octadecylthio)acetate

Conditions
ConditionsYield
With potassium carbonate In dimethyl sulfoxide; acetone at 20℃; for 48h;100%
With potassium carbonate In dimethyl sulfoxide; acetone at 20℃; for 24h; Alkylation;90%
2-chloro-3-hydroxypyridine
6636-78-8

2-chloro-3-hydroxypyridine

1-Bromooctadecane
112-89-0

1-Bromooctadecane

2-chloro-3-octadecyloxy-pyridine
905599-19-1

2-chloro-3-octadecyloxy-pyridine

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 65℃; for 8h;100%
(6-methoxyquinolin-4-yl)((1S,4S,5R)-5-vinylquinuclidin-2-yl)methanol
56-54-2, 130-95-0, 572-59-8, 572-60-1, 42151-59-7, 47342-58-5, 72402-50-7, 72402-51-8, 72402-52-9, 72402-53-0, 101143-86-6, 101143-87-7, 101143-88-8, 146925-10-2

(6-methoxyquinolin-4-yl)((1S,4S,5R)-5-vinylquinuclidin-2-yl)methanol

1-Bromooctadecane
112-89-0

1-Bromooctadecane

C38H61N2O2(1+)

C38H61N2O2(1+)

Conditions
ConditionsYield
In acetonitrile for 24h; Heating;100%
N,N-bis[3-(dimethylamino)propyl]-N',N'-dimethylpropane-1,3-diamine
33329-35-0

N,N-bis[3-(dimethylamino)propyl]-N',N'-dimethylpropane-1,3-diamine

1-Bromooctadecane
112-89-0

1-Bromooctadecane

C69H147N4(3+)*3Br(1-)

C69H147N4(3+)*3Br(1-)

Conditions
ConditionsYield
In acetonitrile for 24h; Reflux;100%
1-Bromooctadecane
112-89-0

1-Bromooctadecane

Quinine
130-95-0

Quinine

C38H61N2O2(1+)*Br(1-)

C38H61N2O2(1+)*Br(1-)

Conditions
ConditionsYield
In acetonitrile for 26h; Reflux;100%
1-methyl-1,3-dihydro-imidazole-2-thione
60-56-0

1-methyl-1,3-dihydro-imidazole-2-thione

1-Bromooctadecane
112-89-0

1-Bromooctadecane

1-Methyl-2-octadecylsulfanyl-1H-imidazole; hydrobromide
50968-67-7

1-Methyl-2-octadecylsulfanyl-1H-imidazole; hydrobromide

Conditions
ConditionsYield
In acetonitrile for 24h; Reflux;100%
2-heptadecylimidazole
23328-87-2

2-heptadecylimidazole

1-Bromooctadecane
112-89-0

1-Bromooctadecane

1-octadecyl-2-heptadecylimidazole

1-octadecyl-2-heptadecylimidazole

Conditions
ConditionsYield
With potassium hydroxide In toluene for 11h; Reflux;99.4%
bis(2,5-dimethylpyrrolo)[3,4-d]tetrathiafulvalene
117860-14-7

bis(2,5-dimethylpyrrolo)[3,4-d]tetrathiafulvalene

1-Bromooctadecane
112-89-0

1-Bromooctadecane

4,6,4',6'-Tetramethyl-5,5'-dioctadecyl-5H,5'H-[2,2']bi[[1,3]dithiolo[4,5-c]pyrrolylidene]

4,6,4',6'-Tetramethyl-5,5'-dioctadecyl-5H,5'H-[2,2']bi[[1,3]dithiolo[4,5-c]pyrrolylidene]

Conditions
ConditionsYield
With sodium hydride In N,N-dimethyl-formamide 1) room temperature, 5 min, 2) 20 min;99%
1-Bromooctadecane
112-89-0

1-Bromooctadecane

n-octadecylphosphonic acid
4724-47-4

n-octadecylphosphonic acid

Conditions
ConditionsYield
Stage #1: 1-Bromooctadecane With phosphoric acid; N,O-Bis(trimethylsilyl)trifluoroacetamide at 120℃;
Stage #2: With water In methanol at 20℃; for 2h; Further stages.;		99%
Stage #1: 1-Bromooctadecane With potassium hydroxide semihydrate; phosphorus; cetyltrimethylammonim bromide In water; toluene at 70℃; for 6h; Inert atmosphere;
Stage #2: With nitric acid In water at 100 - 110℃; for 2h; pH=4; Inert atmosphere;		20%
Multi-step reaction with 2 steps
1: hexane
2: concentrated aqueous HCl
View Scheme
Multi-step reaction with 2 steps
1.1: 150 °C / Inert atmosphere; Schlenk technique
2.1: trimethylsilyl bromide / dichloromethane
2.2: 3 h
View Scheme
Multi-step reaction with 2 steps
1: sodium hydride / N,N-dimethyl-formamide
2: trimethylsilyl bromide
View Scheme
1,4-diaza-bicyclo[2.2.2]octane
280-57-9

1,4-diaza-bicyclo[2.2.2]octane

1-Bromooctadecane
112-89-0

1-Bromooctadecane

1- octadecyl-4-aza-1-azoniabicyclo[2.2.2]octane bromide

1- octadecyl-4-aza-1-azoniabicyclo[2.2.2]octane bromide

Conditions
ConditionsYield
In ethyl acetate at 20℃; for 24h;99%
In acetonitrile at 20℃; for 24h;88%
In acetone at 20 - 50℃; for 1.5h;79%
1-methyl-1H-imidazole
616-47-7

1-methyl-1H-imidazole

1-Bromooctadecane
112-89-0

1-Bromooctadecane

1-methyl-3-octadecyl-1H-imidazol-3-ium bromide
379231-56-8

1-methyl-3-octadecyl-1H-imidazol-3-ium bromide

Conditions
ConditionsYield
In acetone at 85℃; for 15h; Schlenk technique; Inert atmosphere;99%
In ethanol at 80℃; for 72h; Inert atmosphere;84.2%
In tetrahydrofuran at 60℃; Schlenk technique;22%
2-nitro-9H-fluorene
607-57-8

2-nitro-9H-fluorene

1-Bromooctadecane
112-89-0

1-Bromooctadecane

2-nitro-9,9-di-(n-octadecyl)-9H-fluorene
1007602-87-0

2-nitro-9,9-di-(n-octadecyl)-9H-fluorene

Conditions
ConditionsYield
With potassium hydroxide In N,N-dimethyl-formamide at 20 - 50℃;99%
N,N,N,N,-tetramethylethylenediamine
110-18-9

N,N,N,N,-tetramethylethylenediamine

1-Bromooctadecane
112-89-0

1-Bromooctadecane

C24H53N2(1+)*Br(1-)
171894-19-2

C24H53N2(1+)*Br(1-)

Conditions
ConditionsYield
In acetone at 20℃; for 3h; Reflux;99%
In acetone for 3h; Reflux;99%
In methanol at 50℃; for 28h; Inert atmosphere;91.5%
3-hydroxy-6-methylpicolinaldehyde
66497-42-5

3-hydroxy-6-methylpicolinaldehyde

1-Bromooctadecane
112-89-0

1-Bromooctadecane

3-octadecyloxy-6-methylpicolinaldehyde

3-octadecyloxy-6-methylpicolinaldehyde

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 3h;99%
2-Formyl-3-hydroxypyridin
1849-55-4

2-Formyl-3-hydroxypyridin

1-Bromooctadecane
112-89-0

1-Bromooctadecane

3-octadecyloxypicolinaldehyde

3-octadecyloxypicolinaldehyde

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 100℃;99%
9H-carbazole
86-74-8

9H-carbazole

1-Bromooctadecane
112-89-0

1-Bromooctadecane

9-octadecyl-9H-carbazole

9-octadecyl-9H-carbazole

Conditions
ConditionsYield
With potassium hydroxide In acetone Reflux;99%
With tetrabutylammomium bromide; sodium hydroxide
With sodium hydride In N,N-dimethyl-formamide at 20℃; for 6h; Inert atmosphere;
With potassium hydroxide In N,N-dimethyl-formamide
With potassium hydroxide In N,N-dimethyl-formamide
methyl 3-aminopropanoate hydrochloride
3196-73-4

methyl 3-aminopropanoate hydrochloride

1-Bromooctadecane
112-89-0

1-Bromooctadecane

methyl N,N-dioctadecyl-3-aminopropanoate
943011-40-3

methyl N,N-dioctadecyl-3-aminopropanoate

Conditions
ConditionsYield
With potassium carbonate; potassium iodide In acetonitrile at 81℃; for 18h;99%
ethyl orselinate
2524-37-0

ethyl orselinate

1-Bromooctadecane
112-89-0

1-Bromooctadecane

ethyl 2-hydroxy-6-methyl-4-(octadecyloxy)benzoate

ethyl 2-hydroxy-6-methyl-4-(octadecyloxy)benzoate

Conditions
ConditionsYield
With tetra-(n-butyl)ammonium iodide; potassium carbonate In acetone Reflux; Inert atmosphere;99%
betaine
107-43-7

betaine

1-Bromooctadecane
112-89-0

1-Bromooctadecane

(2-octadecyloxy-2-oxoethyl)trimethylammonium bromide

(2-octadecyloxy-2-oxoethyl)trimethylammonium bromide

Conditions
ConditionsYield
In acetonitrile at 80℃; for 72h;99%
In acetonitrile at 80℃; Green chemistry;88%
1-Bromooctadecane
112-89-0

1-Bromooctadecane

2,4,6-tribromophenol
118-79-6

2,4,6-tribromophenol

1,3,5-tribromo-2-octadecyloxybenzene
959685-14-4

1,3,5-tribromo-2-octadecyloxybenzene

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 70℃; for 17h;98.5%
1-octadecyl-2-heptadecylimidazole

1-octadecyl-2-heptadecylimidazole

1-Bromooctadecane
112-89-0

1-Bromooctadecane

1,3-dioctadecyl-2-heptadecylimidazolium bromide

1,3-dioctadecyl-2-heptadecylimidazolium bromide

Conditions
ConditionsYield
at 120℃; for 4h;98.2%
methyl 4-hydroxylbenzoate
99-76-3

methyl 4-hydroxylbenzoate

1-Bromooctadecane
112-89-0

1-Bromooctadecane

methyl 4-(octadecyloxy)benzoate
40654-37-3

methyl 4-(octadecyloxy)benzoate

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 90℃; for 16h; Inert atmosphere;98%
With potassium carbonate In acetone for 24h; Heating;94%
With tetra-(n-butyl)ammonium iodide; potassium carbonate In acetone Reflux; Inert atmosphere;90%
4-cyanophenol
767-00-0

4-cyanophenol

1-Bromooctadecane
112-89-0

1-Bromooctadecane

4-(octadecyloxy)benzonitrile
139536-08-6

4-(octadecyloxy)benzonitrile

Conditions
ConditionsYield
With potassium carbonate In acetone for 48h; Heating;98%
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 120℃; for 15h;97%
With potassium carbonate In acetonitrile Reflux;75%
With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 18h;72%
rac-3-sulfanylpropane-1,2-diol
96-27-5

rac-3-sulfanylpropane-1,2-diol

1-Bromooctadecane
112-89-0

1-Bromooctadecane

octadecylthio-1 propanediol-2,3
7400-44-4

octadecylthio-1 propanediol-2,3

Conditions
ConditionsYield
With potassium hydroxide In methanol for 48h; Ambient temperature;98%
With potasse ethanolique In ethanol at 20℃; for 4h;92%
With potassium hydroxide In hexane for 48h; Ambient temperature;

1-Bromooctadecane Specification

The Octadecane, 1-bromo- is an organic compound with the formula C18H37Br. The IUPAC name of this chemical is 1-bromooctadecane. With the CAS registry number 112-89-0, it is also named as N-Octadecyl Bromide. The product's categories are Alkyl Bromides; Monofunctional & alpha,omega-Bifunctional Alkanes; Monofunctional Alkanes. Besides, it is a yellowish low melting solid, which should be stored in a cool and well-ventilated place.

Physical properties about Octadecane, 1-bromo- are: (1)ACD/LogP: 10.18; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.18; (4)ACD/LogD (pH 7.4): 10.18; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 8231422.5; (8)ACD/KOC (pH 7.4): 8231422.5; (9)#Freely Rotating Bonds: 16; (10)Index of Refraction: 1.462; (11)Molar Refractivity: 93.17 cm3; (12)Molar Volume: 338.8 cm3; (13)Polarizability: 36.93×10-24cm3; (14)Surface Tension: 31.1 dyne/cm; (15)Density: 0.983 g/cm3; (16)Flash Point: 150.7 °C; (17)Enthalpy of Vaporization: 59.28 kJ/mol; (18)Boiling Point: 370.2 °C at 760 mmHg; (19)Vapour Pressure: 2.4E-05 mmHg at 25°C.

Uses of Octadecane, 1-bromo-: it can be used to produce octadecane at temperature of 110 °C. It will need reagents NaBH4, (n-Bu)3SnCl, benzo-15-crown-5 and solvent toluene.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, do not breathe dust and avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCCCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C18H37Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3
(3)InChIKey: WSULSMOGMLRGKU-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C18H37Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3
(5)Std. InChIKey: WSULSMOGMLRGKU-UHFFFAOYSA-N

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