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33036-62-3

33036-62-3 Structure

33036-62-3 Structure
IdentificationMore
[Name]

4-Bromo-1-butanol
[CAS]

33036-62-3
[Synonyms]

4-BROMO-1-BUTANOL
TETRAMETHYLENE BROMOHYDRIN
4-bromobutan-1-ol
4-Bromobutanol
1-BROMO-4-BUTANOL
4-Bromo-1-butenol
4-Bromo-1-butanol (contains varying amounts of Tetrahydrofuran)
4-BROMO-1-BUTANOL, 85+%
[EINECS(EC#)]

251-355-5
[Molecular Formula]

C4H9BrO
[MDL Number]

MFCD00015387
[Molecular Weight]

153.02
[MOL File]

33036-62-3.mol
Chemical PropertiesBack Directory
[Appearance]

Clear colorless to brown liquid
[Boiling point ]

56-58
[density ]

1.68
[Fp ]

7 °C
[refractive index ]

1.5035
[storage temp. ]

−20°C
[solubility ]

Chloroform (Sparingly), Methanol (Sparingly)
[form ]

Liquid
[pka]

14.98±0.10(Predicted)
[color ]

Yellow
[Water Solubility ]

insoluble
[Sensitive ]

Moisture & Light Sensitive
[BRN ]

1839430
[InChI]

InChI=1S/C4H9BrO/c5-3-1-2-4-6/h6H,1-4H2
[InChIKey]

SIJLYRDVTMMSIP-UHFFFAOYSA-N
[SMILES]

C(O)CCCBr
[CAS DataBase Reference]

33036-62-3(CAS DataBase Reference)
[NIST Chemistry Reference]

1-Butanol, 4-bromo-(33036-62-3)
Questions And AnswerBack Directory
[Preparation]

200 kg of tetrahydrofuran and 19 kg (0.07 eq) of concentrated sulfuric acid were added sequentially to a 1000 L reactor. The system temperature was controlled at 2 ± 2 °C. 420 kg (0.9 eq) of 48% hydrobromic acid aqueous solution was slowly added dropwise. After the addition was complete, the temperature was raised to 80 ± 2 °C and maintained for 3 h. After the reaction was completed, the temperature was lowered to 0 ± 2 °C. The pH of the system was adjusted to 7-8 with 23 kg (0.1 eq) of sodium bicarbonate. Extraction was performed, the organic phase was washed, and the mixture was concentrated to obtain 286 kg of the oily product 4-bromo-1-butanol, with a yield of 67.5% and a gas chromatographic purity (GC) of 97.0%.
[Description]

4-Bromo-1-butanol can be prepared by azeotropic distillation of butane-1,4-diol with 47% HBr with a yield of about 65%.1 4-Bromo-1-butanol can be used to prepare 2-(4-bromo-butoxy)-tetrahydro-pyran by reacting with 3,4-dihydro-2H-pyran in the presence of amberlyst 15 and the menstruum hexane.1 It reacts with dihydropyran to prepare tetrahydropyranyl ethers.2
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Danger
[Hazard statements ]

H225-H315-H319-H335
[Precautionary statements ]

P210-P302+P352-P305+P351+P338
[Hazard Codes ]

F,Xi,Xn
[Risk Statements ]

R11:Highly Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S16:Keep away from sources of ignition-No smoking .
[RIDADR ]

UN 1987 3/PG 2
[WGK Germany ]

3
[F ]

8-10
[Hazard Note ]

Irritant/Flammable
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29055998
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Eye Irrit. 2
Flam. Liq. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

Clear colorless to brown liquid
[Uses]

4-Bromo-1-butanol is used to prepare 2-(4-bromo-butoxy)-tetrahydro-pyran by reacting with 3,4-dihydro-2H-pyran in the presence of amberlyst 15 as a catalyst. It reacts with dihydropyran to prepare tetrahydropyranyl ethers.
[Definition]

ChEBI: 4-Bromo-1-butanol is a primary alcohol.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Bromo-1-butanol(33036-62-3)MS
4-Bromo-1-butanol(33036-62-3)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Bromo-1-butanol(33036-62-3)
[Alfa Aesar]

4-Bromo-1-butanol(33036-62-3)
[Sigma Aldrich]

33036-62-3(sigmaaldrich)
[TCI AMERICA]

4-Bromo-1-butanol  (contains varying amounts of Tetrahydrofuran),>80.0%(NMR)(33036-62-3)
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