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662747

3-Bromo-2-butanone

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About This Item

Empirical Formula (Hill Notation):
C4H7BrO
CAS Number:
814-75-5
Molecular Weight:
151.00
NACRES:
NA.22
PubChem Substance ID:
24884602
UNSPSC Code:
12352100
EC Number:
212-404-6
MDL number:
MFCD00013538
Assay:
97%
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Quality Segment

assay

97%

refractive index

n20/D 1.460

density

1.416 g/mL at 25 °C

functional group

bromo, ketone

SMILES string

CC(Br)C(C)=O

InChI

1S/C4H7BrO/c1-3(5)4(2)6/h3H,1-2H3

InChI key

BNBOUFHCTIFWHN-UHFFFAOYSA-N

Application

3-Bromo-2-butanone can be used as a reactant to synthesize:
  • N



  • -(4,5-Dimethyl-1H-imidazol-2-yl)acetamide by reacting with N-acetylguanidine under acidic conditions.
  • Oxazole derivatives by silver triflate catalyzed cyclization reaction with various amides.
  • 2-bromo-5,6-dimethyl[1,3]oxazolo[3,2-b][1,2,4]triazole by treating with 3,5-dibromo-1,2,4-triazole in the presence DBU.

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1B

Storage Class

3 - Flammable liquids

Flash Point (°F)

123.8 °F

Flash Point (°C)

51 °C

PPE (personal protective equipment)

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

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