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1-Bromohexadecane

CAS No.
112-82-3
Chemical Name:
1-Bromohexadecane
Synonyms
CETYL BROMIDE;1-Bromhexadecan;HEXADECYL BROMIDE;1-HEXADECYL BROMIDE;N-HEXADECYL BROMIDE;BROMOHEXADECANE;Hexadecylbromid;Palmitylbromide;1-bromo-hexadecan;1-BROMOHEXADECANE
CBNumber:
CB3211988
Molecular Formula:
C16H33Br
Molecular Weight:
305.34
MDL Number:
MFCD00000230
MOL File:
112-82-3.mol
MSDS File:
SDS
TDS File:
TDS
Last updated:2026-05-28 01:02:59
Product description Number Pack Size Price
1-Bromohexadecane 97% 234451 100g $50.9
1-Bromohexadecane >96.0%(GC) B0599 25g $17
1-Bromohexadecane >96.0%(GC) B0599 100g $25
1-Bromohexadecane TRC-B683860-5G 5g $177
1-Bromohexadecane TRC-B683860-25G 25g $214
More product size

1-Bromohexadecane Properties

Melting point 16-18 °C(lit.)
Boiling point 190 °C11 mm Hg(lit.)
Density 0.999 g/mL at 25 °C(lit.)
vapor density 10.6 (vs air)
vapor pressure <1 mm Hg ( 20 °C)
refractive index n20/D 1.4609(lit.)
Flash point >230 °F
storage temp. Inert atmosphere,Room Temperature
solubility Difficult to mix.
form Liquid After Melting
Specific Gravity 1.000 (20/4℃)
color Clear amber to brown-black
Water Solubility INSOLUBLE
BRN 773989
Dielectric constant 3.71
Stability Stable. Incompatible with strong oxidizing agents. Combustible.
InChI 1S/C16H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3
InChIKey HNTGIJLWHDPAFN-UHFFFAOYSA-N
SMILES CCCCCCCCCCCCCCCCBr
LogP 8.54
CAS DataBase Reference 112-82-3(CAS DataBase Reference)
FDA UNII 76GJI7GVAM
NIST Chemistry Reference Hexadecane, 1-bromo-(112-82-3)
EPA Substance Registry System Hexadecane, 1-bromo- (112-82-3)
UNSPSC Code 12352100
NACRES NA.22

SAFETY

Risk and Safety Statements

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315
Precautionary statements  P302+P352
PPE Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  3
TSCA  TSCA listed
HS Code  29033036
Storage Class 10 - Combustible liquids
Hazard Classifications Skin Irrit. 2
REACH Registrations Active
NFPA 704
0
0 0

1-Bromohexadecane price More Price(40)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 234451 1-Bromohexadecane 97% 112-82-3 100g $50.9 2026-04-30 Buy
TCI Chemical B0599 1-Bromohexadecane >96.0%(GC) 112-82-3 25g $17 2026-04-30 Buy
TCI Chemical B0599 1-Bromohexadecane >96.0%(GC) 112-82-3 100g $25 2026-04-30 Buy
TRC TRC-B683860-5G 1-Bromohexadecane 112-82-3 5g $177 2026-06-03 Buy
TRC TRC-B683860-25G 1-Bromohexadecane 112-82-3 25g $214 2026-06-03 Buy
Product number Packaging Price Buy
234451 100g $50.9 Buy
B0599 25g $17 Buy
B0599 100g $25 Buy
TRC-B683860-5G 5g $177 Buy
TRC-B683860-25G 25g $214 Buy

1-Bromohexadecane Chemical Properties,Uses,Production

Chemical Properties

colourless to yellow liquid or solid.soluble in ether, alcohol, insoluble in water.

Uses

1-Bromohexadecane has been used:
in the preparation of soluble carbon nano-onions by covalent functionalization with hexadecyl chains
as extraction solvent in determination of endocrine-disrupting phenols (EDPs) in water samples by ultrasound-assisted emulsification microextraction (MS-USAEME) method
in the preparation of [2-(methacryloyloxy)ethyl]dimethylhexadecylammonium bromide monomer, required for the synthesis of novel methacrylate based adsorbents
in the synthesis of surfactant, N-hexadecyl ethylenediamine triacetic acid (HED3A)

Uses

1-Bromohexadecane is used in the preparation of soluble carbon nano-onions by covalent functionalization with hexadecyl chains. It is also used to synthesize [2-(methacryloyloxy)ethyl]dimethylhexadecylammonium bromide monomer, required for the synthesis of novel methacrylate based adsorbents.

Preparation

Synthesis of 1-Bromohexadecane from hexadecanol by bromination: put hexadecanol into the reaction pot and stir, heat, melt and put in red phosphorus. Add bromine drop by drop at 100℃ with sufficient stirring on one side, control 120-130℃, about 6h drop by drop, continue the reaction and drain the hydrogen bromide. Cool to below 50 ℃, add saturated and sodium chloride, stirring and washing, resting stratification, parting off the lower waste stream, then wash with water to neutral, distillation, collect 220-230 ℃ (2kPa) fraction, to obtain 1-bromohexadecane.

Synthesis

1-Hexadecanol

36653-82-4

1-Bromohexadecane

112-82-3

General procedure for the synthesis of bromohexadecane from 1-hexadecanol: ethyl α,α-diacetoacetate (2a, 0.41 mmol, 1.2 eq.), 1-hexadecanol (1a, 0.34 mmol, 1.0 eq.), and triphenylphosphine (Ph3P, 0.68 mmol, 2.0 eq.) were added to 3 mL of dichloroethane (DCE) at room temperature. The reaction was carried out in air. The reaction mixture was stirred at room temperature and the reaction progress was monitored by thin layer chromatography (TLC). Upon completion of the reaction, the reaction was quenched by the addition of 3 mL of water, followed by extraction with ethyl acetate (3 x 3 mL). The organic layers were combined, washed with saturated saline, dried over anhydrous sodium sulfate (Na2SO4) and concentrated under reduced pressure. The crude product was purified by silica gel column chromatography with the eluent being petroleum ether or a solvent mixture of petroleum ether and ethyl acetate to give the target product hexadecyl bromide (3a).

Purification Methods

Shake the bromide with H2SO4, wash with H2O, dry with K2CO3 and fractionally distil it in vacuo.[Beilstein 1 IV 542.]

References

[1] Tetrahedron Letters, 2014, vol. 55, # 1, p. 90 - 93
[2] Chemistry and Physics of Lipids, 1993, vol. 66, # 3, p. 161 - 170
[3] JAOCS, Journal of the American Oil Chemists' Society, 1996, vol. 73, # 7, p. 847 - 850
[4] Journal of the American Pharmaceutical Association (1912-1977), vol. 38, p. 288
[5] Chem.Abstr., 1949, p. 8610

36653-82-4
112-82-3
Synthesis of 1-Bromohexadecane from 1-Hexadecanol
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