ChemicalBook--->CAS DataBase List--->112-82-3

112-82-3

112-82-3 Structure

112-82-3 Structure
IdentificationMore
[Name]

1-Bromohexadecane
[CAS]

112-82-3
[Synonyms]

1-BROMOHEXADECANE
1-HEXADECYL BROMIDE
CETYL BROMIDE
HEXADECYL BROMIDE
N-HEXADECYL BROMIDE
1-Bromhexadecan
1-bromo-hexadecan
Hexadecane,1-bromo-
Hexadecylbromid
n-Hexadecyl-1-bromide
Palmitylbromide
BROMOHEXADECANE
N-HEXADECYL BROMIDE (CETYL)
1-BROMOHEXADECANE pure
Cetyl bromide, Hexadecyl bromide
[EINECS(EC#)]

204-008-7
[Molecular Formula]

C16H33Br
[MDL Number]

MFCD00000230
[Molecular Weight]

305.34
[MOL File]

112-82-3.mol
Chemical PropertiesBack Directory
[Appearance]

colourless to yellow liquid or solid
[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.)
[Fp ]

>230 °F
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

Difficult to mix.
[form ]

Liquid After Melting
[color ]

Clear amber to brown-black
[Specific Gravity]

1.000 (20/4℃)
[Stability:]

Stable. Incompatible with strong oxidizing agents. Combustible.
[Water Solubility ]

INSOLUBLE
[Detection Methods]

GC
[BRN ]

773989
[Dielectric constant]

3.71
[InChIKey]

HNTGIJLWHDPAFN-UHFFFAOYSA-N
[LogP]

8.54
[CAS DataBase Reference]

112-82-3(CAS DataBase Reference)
[NIST Chemistry Reference]

Hexadecane, 1-bromo-(112-82-3)
[EPA Substance Registry System]

112-82-3(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

29033036
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Government regulation-->1-Hexadecanol
[Preparation Products]

1,2-Hexadecanediol-->Hexadecyl trimethyl ammonium bromide-->1-HEPTADECANOL-->1-HEXADECANESULFONIC ACID SODIUM SALT-->Hexadecyltrimethylammonium hydroxide-->AMBRETTOLIDE-->2-(2-HEXYLOXYETHOXY)ETHANOL-->N-HEXADECYL SULFIDE-->1-NONADECENE-->Hexadecyltriphenylphosphonium bromide-->CETYLDIMETHYLETHYLAMMONIUM BROMIDE-->ara-CDP-1-S-hexadecyl-2-O-palmitoyl-1-thioglycerol-->HEXADECYL METHYL SULFIDE-->1,2-DIHEXADECYLOXYBENZENE-->1-Hexadecyl-3,5-dimethyl-1H-pyrazole
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-Bromohexadecane(112-82-3).msds
Hazard InformationBack Directory
[Chemical Properties]

colourless to yellow liquid or solid
[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.
[Purification Methods]

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

1-Bromohexadecane(112-82-3)MS
1-Bromohexadecane(112-82-3)1HNMR
1-Bromohexadecane(112-82-3)13CNMR
1-Bromohexadecane(112-82-3)IR1
1-Bromohexadecane(112-82-3)IR2
1-Bromohexadecane(112-82-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-Bromohexadecane, 97%(112-82-3)
[Alfa Aesar]

1-Bromohexadecane, 98%(112-82-3)
[Sigma Aldrich]

112-82-3(sigmaaldrich)
[TCI AMERICA]

1-Bromohexadecane,>96.0%(GC)(112-82-3)
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