ChemicalBook--->CAS DataBase List--->594-16-1

594-16-1

594-16-1 Structure

594-16-1 Structure
IdentificationBack Directory
[Name]

2,2-DIBROMOPROPANE
[CAS]

594-16-1
[Synonyms]

Bromoacetole
acetone dibromide
2,2-dibromo-propan
2,2-DIBROMOPROPANE
2,2-Dibromopropane,98%
Isopropylidene dibromide
[EINECS(EC#)]

209-828-9
[Molecular Formula]

C3H6Br2
[MDL Number]

MFCD00000119
[MOL File]

594-16-1.mol
[Molecular Weight]

201.89
Chemical PropertiesBack Directory
[Appearance]

clear colorless to light yellow liquid
[Melting point ]

-44.69°C (estimate)
[Boiling point ]

114 °C (740 mmHg)
[density ]

1.78
[refractive index ]

1.495-1.499
[Fp ]

113 °C
[form ]

Liquid
[color ]

Colorless to pale yellow
[InChI]

InChI=1S/C3H6Br2/c1-3(2,4)5/h1-2H3
[InChIKey]

ARITXYXYCOZKMU-UHFFFAOYSA-N
[SMILES]

CC(Br)(Br)C
[EPA Substance Registry System]

Propane, 2,2-dibromo- (594-16-1)
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to light yellow liquid
[Uses]

2,2-dibromopropane is used in organic synthesis. dimethyl isopropenylsuccinate was formed as a by-product in the reaction of 2,2-dibromopropane.
[Preparation]

2,2-Dibromopropane synthesis: Ethyl bicyclic phosphite (3.5g, 0.025mole) and acetone (1.5g, 1. 9ml, 0.025mole) were dissolved in thirty ml benzene in a one-neck 100ml 19/22 standard taper flask and the solution was cooled to 5° by an ice bath. The solution was stirred by a magnetic stirrer and bar, and to it was added bromine (4g, 0.025mole) dropwise from a dropping funnel. The reaction proceeded immediately as no dibromide intermediate appeared, and after completion of halogen addition the solution was stirred for half an hour in the cold, and then analyzed for dihaloalkane . Analysis on the Beckman GC-2A Gas Chr omatograph indicated the presence of 2,2-Dibromopropane, and the yield was calculated as previously described. Yield: 1.56g, 31%.
2,2-dibromopropane is also prepared by Hydrogen bromide and propyne.
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

36/37/38-20/21/22
[Safety Statements ]

36/37/39-26-37/39-24/25
[RIDADR ]

2810
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29033990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Propyne-->Hydrogen bromide-->Trimethylolpropane phosphite-->Acetone
[Preparation Products]

2-Bromopropene
Spectrum DetailBack Directory
[Spectrum Detail]

2,2-DIBROMOPROPANE(594-16-1)1HNMR
2,2-DIBROMOPROPANE(594-16-1)13CNMR
2,2-DIBROMOPROPANE(594-16-1)IR1
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