ChemicalBook--->CAS DataBase List--->1458-98-6

1458-98-6

1458-98-6 Structure

1458-98-6 Structure
IdentificationMore
[Name]

3-Bromo-2-methylpropene
[CAS]

1458-98-6
[Synonyms]

3-BROMO-2-METHYLPROPENE
METHALLYL BROMIDE
METHYLALLYL BROMIDE
1-Bromo-2-methyl-2-propene
1-propene,3-bromo-2-methyl-
2-(bromomethyl)propene
2-Methyl-2-propenylbromide
2-Methyl-3-bromo-1-propene
2-methylallylbromide
3-Bromo-2-methyl-1-propene
3-Bromo-2-methyl-1-propylene
propene,3-bromo-2-methyl-
Bulk Pharmaceuticals and Intermediates
3-BROMO-2-METHYLPROP-1-ENE
Methallyl bromide, Methylallyl bromide
[EINECS(EC#)]

604-496-5
[Molecular Formula]

C4H7Br
[MDL Number]

MFCD00134155
[Molecular Weight]

135
[MOL File]

1458-98-6.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to yellow liquid
[Melting point ]

-115.07°C (estimate)
[Boiling point ]

94-95 °C (lit.)
[density ]

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

n20/D 1.472(lit.)
[Fp ]

44 °F
[storage temp. ]

2-8°C
[solubility ]

Chloroform, Ethyl Acetate
[form ]

Oil
[color ]

Clear Colourless to Pale Yellow
[Specific Gravity]

1.339
[Stability:]

Light Sensitive
[InChI]

InChI=1S/C4H7Br/c1-4(2)3-5/h1,3H2,2H3
[InChIKey]

USEGQJLHQSTGHW-UHFFFAOYSA-N
[SMILES]

C=C(C)CBr
[CAS DataBase Reference]

1458-98-6(CAS DataBase Reference)
Questions And AnswerBack Directory
[Preparation]

mol of 4-bromotoluene was added to the reaction vessel, the temperature was raised to 65 °C, and 7 mol of 25% oxalic acid solution was added. After the addition was complete, 6 mol of methylallyl bromide was added. After the addition was complete, the mixture was refluxed for 80 min, and then distilled under reduced pressure at 15 kPa. The fraction at 55 °C was collected. The collected distillate was washed with 35% potassium bicarbonate solution, allowed to stand and separate into layers, and the oil layer was removed. The oil layer was washed with 20% potassium bromide solution, 80% triethylamine solution, and 90% propionitrile solution. The oil layer was then dehydrated with a solid phosphorus pentoxide dehydrating agent to obtain 562.55 g of the product 3-bromo-2-methylpropene, with a yield of 93%.
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Corrosion (GHS05)Exclamation Mark (GHS07)Environment (GHS09)
GHS02,GHS05,GHS07,GHS09
[Signal word ]

Danger
[Hazard statements ]

H225-H302+H332-H314-H411
[Precautionary statements ]

P210-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
[Hazard Codes ]

F,C,N
[Risk Statements ]

R11:Highly Flammable.
R20/22:Harmful by inhalation and if swallowed .
R34:Causes burns.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S9:Keep container in a well-ventilated place .
S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S29:Do not empty into drains .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[RIDADR ]

UN 2924 3/PG 2
[WGK Germany ]

3
[HazardClass ]

3.1
[PackingGroup ]

II
[HS Code ]

29033990
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to yellow liquid
[Uses]

3-Bromo-2-methylpropene is used as a general reagent for various organic reactions and primarily for amino acid synthesis and asymmetric amino acid synthesis.
[General Description]

Rotational isomerism in 3-bromo-2-methylpropene has been studied by IR spectroscopy.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Bromo-2-methylpropene(1458-98-6)1HNMR
3-Bromo-2-methylpropene(1458-98-6)FT-IR
3-Bromo-2-methylpropene(1458-98-6)Raman
3-Bromo-2-methylpropene(1458-98-6)IR
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