ChemicalBook--->CAS DataBase List--->34626-51-2

34626-51-2

34626-51-2 Structure

34626-51-2 Structure
IdentificationMore
[Name]

5-Bromopentan-1-ol
[CAS]

34626-51-2
[Synonyms]

5-BROMO-1-HYDROXYPENTANE
5-BROMO-1-PENTANOL
5-BROMOPENTAN-1-OL
AURORA KA-3061
5-Bromopentanol
5-bromo-1-pentano
5-BROMO-1-PENTANOL 90+%
[Molecular Formula]

C5H11BrO
[MDL Number]

MFCD00061101
[Molecular Weight]

167.04
[MOL File]

34626-51-2.mol
Chemical PropertiesBack Directory
[Boiling point ]

117 °C / 20mmHg
[density ]

1,38 g/cm3
[refractive index ]

n20/D 1.482
[Fp ]

40 - 50°C
[storage temp. ]

Freezer
[form ]

clear liquid
[pka]

15.11±0.10(Predicted)
[color ]

Light red to Yellow to Red
[InChI]

InChI=1S/C5H11BrO/c6-4-2-1-3-5-7/h7H,1-5H2
[InChIKey]

WJVQJXVMLRGNGA-UHFFFAOYSA-N
[SMILES]

C(O)CCCCBr
[CAS DataBase Reference]

34626-51-2(CAS DataBase Reference)
[EPA Substance Registry System]

34626-51-2(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

UN 1993 3/PG 3
[WGK Germany ]

3
[TSCA ]

TSCA listed
[HazardClass ]

3
[PackingGroup ]

[HS Code ]

29055900
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

Light yellow liquid
[Uses]

5-Bromopentanol is an organic building block that has been used as a reactant in the synthesis of 3-hydroxypyridine-2-thione to be used as a zinc binding group for histone deacetylase(HDAC) inhibition.
[Synthesis Reference(s)]

Tetrahedron, 27, p. 5979, 1971 DOI: 10.1016/S0040-4020(01)91762-4
[Synthesis]

1,5-Pentanediol

111-29-5

5-Bromopentan-1-ol

34626-51-2

General procedure for the synthesis of 5-bromo-1-pentanol from 1,5-pentanediol: 1,5-pentanediol (14 g, 0.135 mol), 40% hydrobromic acid (28 mL, 0.2 mol), and 60 mL of benzene were added to a 250 mL three-necked flask, and reacted for 15 h in an oil bath at 70-80 °C. The reaction progress was monitored by TLC until the raw material spots disappeared. After completion of the reaction, the reaction mixture was washed sequentially with 5% sodium hydroxide solution, 10% hydrochloric acid and saturated saline, and then dried with anhydrous sodium sulfate. The crude product was purified by silica gel column chromatography (eluent: petroleum ether/ethyl acetate, V/V = 8:1) and concentrated to give 5-bromo-1-pentanol (20.1 g, 89.1% yield) as colorless to light yellow liquid.

[References]

[1] Patent: CN105766907, 2016, A. Location in patent: Paragraph 0026; 0041; 0042
[2] RSC Advances, 2015, vol. 5, # 37, p. 29114 - 29120
[3] Chemistry - A European Journal, 2015, vol. 21, # 30, p. 10721 - 10728
[4] Journal of Physical Chemistry, 1995, vol. 99, # 32, p. 12195 - 12203
[5] Organic Process Research and Development, 2003, vol. 7, # 3, p. 339 - 340
Spectrum DetailBack Directory
[Spectrum Detail]

5-Bromopentan-1-ol(34626-51-2)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

34626-51-2(sigmaaldrich)
[TCI AMERICA]

5-Bromo-1-pentanol,>90.0%(GC)(34626-51-2)
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