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662747

Sigma-Aldrich

3-Bromo-2-butanone

97%

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About This Item

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

Quality Level

100

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

H226,H302 + H312,H314

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

662747-VAR:
662747-BULK:
662747-1G:
662747-5G:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCK4416
MKCD3750
MKBV5032V
MKBT3971V
SHBB6516V

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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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