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About This Item
Empirical Formula (Hill Notation):
C4H7BrO
CAS Number:
Molecular Weight:
151.00
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Quality Level
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 Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1B
Storage Class Code
3 - Flammable liquids
WGK
WGK 2
Flash Point(F)
123.8 °F
Flash Point(C)
51 °C
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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Synthesis of 2, 4-and 2, 4, 5-substituted oxazoles via a silver triflate mediated cyclization
Bailey JL and Sudini RR
Tetrahedron Letters, 55(27) (2014)
[1, 3] Oxazolo [3, 2-b][1, 2, 4] triazoles: a versatile synthesis of a novel heterocycle
Ball Catherine, et al.
Tetrahedron Letters, 51(30), 3907-3909 (2010)
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