CAS 816-40-0|1-bromo-2-butanone|1-bromobutan-2-one|1-Bromo-2-butanone|Bromomethyl ethyl ketone|1-Bromobutan-2-one 90% min.|1-Bromo-2-butanone|溴丁酮|1-溴-2-丁酮

InChI=1S/C4H7BrO/c1-2-4(6)3-5/h2-3H2,1H3

CCXQVBSQUQCEEO-UHFFFAOYSA-N

Acid pKa

17.691307

H Acceptors

H Donor

LogD (pH = 5.5)

1.5296547

LogD (pH = 7.4)

1.5296547

Log P

1.5296547

Molar Refractivity

28.5584

Polarizability

11.060274

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

IUPAC Traditional name

1-Bromo-2-butanoneBromomethyl ethyl ketone1-Bromobutan-2-one 90% min.1-Bromo-2-butanone溴丁酮1-溴-2-丁酮

false

否

KEEP COLD, LACHRYMATOR, FLAMMABLE

Harmful/Irritant/Lachrymatory/Light Sensitive/Store at -20°C

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OR1465

Stabilised with calcium carbonate

243299

Application
Used as a reagent for aromatic bromination with sodium hydride in DMSO.1 Also used in a microwave-assisted preparation of fused heterocycles.2
Packaging
1, 5 g in glass bottle

• Has been used in an improved synthesis of 5-halopyrimidines by the reaction of ɑ -halo ketones with nitriles: Synthesis, 1053 (1992).

Names and Identifiers

IUPAC Traditional name

1-bromo-2-butanone

IUPAC name

1-bromobutan-2-one

Synonyms

1-Bromo-2-butanoneBromomethyl ethyl ketone1-Bromobutan-2-one 90% min.1-Bromo-2-butanone溴丁酮1-溴-2-丁酮

Registration numbers

PubChem SID

PubChem CID

Beilstein Number

MDL Number

EC Number

CAS Number

Molecule Details

OR1465

Stabilised with calcium carbonate

Sigma Aldrich

243299

Application
Used as a reagent for aromatic bromination with sodium hydride in DMSO.1 Also used in a microwave-assisted preparation of fused heterocycles.2
Packaging
1, 5 g in glass bottle

References

PubChem Literature

From Data Sources

• Has been used in an improved synthesis of 5-halopyrimidines by the reaction of ɑ -halo ketones with nitriles: Synthesis, 1053 (1992).

Bioactivity

PubChem BioAssay

RTECS

EL7000000

GHS Signal Word

Warning

Personal Protective Equipment

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

European Hazard Symbols

Harmful (Xn)

Toxic (T)

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Storage Temperature

-20°C

GHS Hazard statements

H302+H312+H332-H315-H319-H335

H330-H314-H318-H227

GHS Precautionary statements

P261-P280-P305+P351+P338

P280-P305+P351+P338-P309-P310

Risk Statements

20/21/22-36/37/38

23-34

Safety Statements

26-27-36/37/39

26-36/37/39-45

German water hazard class

UN Number

UN2927

Packing Group

Hazard Class

6.1

Molecule

ID:6798