ChemicalBook--->CAS DataBase List--->3344-77-2

3344-77-2

3344-77-2 Structure

3344-77-2 Structure
IdentificationMore
[Name]

12-Bromododecanol
[CAS]

3344-77-2
[Synonyms]

12-BROMO-1-DODECANOL
12-BROMO-DODECAN-1-OL
12-Bromododecanol
12-BROMO-1-DODECANOL 98+%
12-Bromododecane-1-ol
12-Bromododecyl alcohol
[Molecular Formula]

C12H25BrO
[MDL Number]

MFCD00004754
[Molecular Weight]

265.23
[MOL File]

3344-77-2.mol
Chemical PropertiesBack Directory
[Melting point ]

34-36 °C (lit.)
[Boiling point ]

155 °C/4 mmHg (lit.)
[density ]

1.1771 (rough estimate)
[refractive index ]

1.5130 (estimate)
[Fp ]

>230 °F
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

Chloroform, Methanol (Slightly)
[form ]

Solid
[pka]

15.20±0.10(Predicted)
[color ]

Off-White to Pale Yellow
[BRN ]

1742764
[InChI]

InChI=1S/C12H25BrO/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h14H,1-12H2
[InChIKey]

ASIDMJNTHJYVQJ-UHFFFAOYSA-N
[SMILES]

C(O)CCCCCCCCCCCBr
[CAS DataBase Reference]

3344-77-2(CAS DataBase Reference)
Safety DataBack Directory
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[HS Code ]

2905.59.1000
Hazard InformationBack Directory
[Uses]

12-Bromo-1-dodecanol is a skin sensitizer.
[Synthesis Reference(s)]

Synthesis, p. 1161, 1985 DOI: 10.1055/s-1985-31464
[Synthesis]

To a solution of 1,12-Dodecanediol (28 g, 0.14 mol) in toluene (600 mL) was added concentrated HBr [27.5 mL of a 48 % (9 M) aqueous solution, 0.162 mol]. The heterogeneous mixture was heated at reflux for 36 h, after which TLC analysis showed that 20 % of the diol remained. Thus, a further quantity of HBr (10 mL, 0.09 mol) was added, and the mixture was heated at reflux for 12 h, after which TLC analysis showed no remaining diol. The reaction mixture was allowed to return to room temperature, and the phases were separated. The organic layer was diluted with ether (200 mL) and washed with 1 M NaOH solution (200 mL) and brine solution (300 mL). Drying over anhydrous Na2SO4, filtration, and concentration of the organic layer gave a yellow oil, which was purified by column chromatography using hexane/ether as eluent (7:3) to provide 12-Bromo-1-dodecanol as a pale yellow oil.
Spectrum DetailBack Directory
[Spectrum Detail]

12-Bromododecanol(3344-77-2)MS
12-Bromododecanol(3344-77-2)1HNMR
12-Bromododecanol(3344-77-2)13CNMR
12-Bromododecanol(3344-77-2)IR1
12-Bromododecanol(3344-77-2)IR2
12-Bromododecanol(3344-77-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

3344-77-2(sigmaaldrich)
[TCI AMERICA]

12-Bromo-1-dodecanol,>98.0%(GC)(3344-77-2)
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