ChemicalBook--->CAS DataBase List--->816-40-0

816-40-0

816-40-0 Structure

816-40-0 Structure
IdentificationMore
[Name]

1-BROMO-2-BUTANONE
[CAS]

816-40-0
[Synonyms]

1-BROMO-2-BUTANONE
(BROMOMETHYL)ETHYL KETONE
1-Brombutanon-(2)
1-bromo-2-butanon
1-bromo-butan-2-one
Brommethylethylketon
TL 819
tl819
1-bromobutanone
1-Bromo-2-butanone,tech.85%
1-Bromo-2-butanone, stabilized, 90%
1-Bromo-2-butanone 90% min.
1-BROMO-2-BUTANONE: 90%, STABILIZED WITH CALCIUM CARBONATE
1-BROMO-2-BUTANONE: TECH., 85%
1-Bromo-2-butanone, tech. 85%, stab. with calcium carbonate
[EINECS(EC#)]

212-431-3
[Molecular Formula]

C4H7BrO
[MDL Number]

MFCD00000207
[Molecular Weight]

151
[MOL File]

816-40-0.mol
Chemical PropertiesBack Directory
[Appearance]

colorless to light yellow liquid
[Boiling point ]

105 °C150 mm Hg(lit.)
[density ]

1.479 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.465(lit.)
[Fp ]

155 °F
[storage temp. ]

Keep Cold
[form ]

Liquid
[color ]

Colorless to light yellow
[Specific Gravity]

1.479
[Sensitive ]

Lachrymatory
[BRN ]

741894
[InChI]

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

CCXQVBSQUQCEEO-UHFFFAOYSA-N
[SMILES]

C(Br)C(=O)CC
[CAS DataBase Reference]

816-40-0(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi,F
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

1693
[WGK Germany ]

3
[RTECS ]

EL7000000
[Hazard Note ]

Harmful/Irritant/Lachrymatory
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29147000
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-bromo-2-butanone(816-40-0).msds
Hazard InformationBack Directory
[Chemical Properties]

colorless to light yellow liquid
[Uses]

1-Bromo-2-butanone (bromomethyl ethyl ketone) was used as a potential regulatory site-directed reagent for the residue C221 on pyruvate decarboxylase. It was also used as a reagent for aromatic bromination with sodium hydride in DMSO and in a microwave-assisted preparation of fused heterocycles.
[Synthesis]

Using methyl 3-oxopentanoate as the starting material, the key intermediate is obtained via chlorination and dealkylation reactions with a yield exceeding 70%. Subsequently, bromination yields 1-bromo-2-butanone with an overall yield exceeding 50%.
Spectrum DetailBack Directory
[Spectrum Detail]

1-BROMO-2-BUTANONE(816-40-0)1HNMR
1-BROMO-2-BUTANONE(816-40-0)Raman
1-BROMO-2-BUTANONE(816-40-0)FT-IR
1-BROMO-2-BUTANONE(816-40-0)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-Bromo-2-butanone, stabilized, 90%(816-40-0)
[Alfa Aesar]

1-Bromo-2-butanone, tech. 85%, stab. with calcium carbonate(816-40-0)
[Sigma Aldrich]

816-40-0(sigmaaldrich)
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