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40630-86-2

40630-86-2 Structure

40630-86-2 Structure
IdentificationBack Directory
[Name]

Propargyl α-bromoisobutyrate
[CAS]

40630-86-2
[Synonyms]

Acetylene BiB
Acetylene ATRP initiator
Propyne 2-bromoisobutyrate
Propargyl α-bromoisobutyrate
Propargyl 2-bromoisobutyrate
Propargyl 2-bromoisobutyrate >97%
prop-2-yn-1-yl 2-bromo-2-methylpropanoate
Propanoic acid, 2-bromo-2-methyl-, 2-propyn-1-yl ester
[EINECS(EC#)]

803-942-8
[Molecular Formula]

C7H9BrO2
[MDL Number]

MFCD23704426
[MOL File]

40630-86-2.mol
[Molecular Weight]

205.05
Chemical PropertiesBack Directory
[density ]

1.418±0.06 g/cm3(Predicted)
[Fp ]

89℃
[form ]

solid or liquid
[Boiling point ]

188-194°C
[InChI]

1S/C7H9BrO2/c1-4-5-10-6(9)7(2,3)8/h1H,5H2,2-3H3
[InChIKey]

XTILOBFYTKJHJZ-UHFFFAOYSA-N
[SMILES]

CC(C)(Br)C(=O)OCC#C
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22-36/37/38-51
[Safety Statements ]

26
[RIDADR ]

NA 1993 / PGIII
[WGK Germany ]

3
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

Atom transfer radical polymerization (ATRP) initiator with an acetylene functionality that enables Cu-mediated ligation (“click” chemistry) or other functionalization.
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