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Key Documents

274372

Sigma-Aldrich

3,3-Dimethylallyl bromide

95%, contains silver wool as stabilizer

Synonym(s):

1-Bromo-3-methyl-2-butene, Prenyl bromide

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About This Item

Linear Formula:
(CH3)2C=CHCH2Br
CAS Number:
Molecular Weight:
149.03
Beilstein:
1420778
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

95%

contains

silver wool as stabilizer

refractive index

n20/D 1.489 (lit.)

bp

82-83 °C/150 mmHg (lit.)

density

1.29 g/mL at 20 °C (lit.)

storage temp.

2-8°C

SMILES string

C\C(C)=C\CBr

InChI

1S/C5H9Br/c1-5(2)3-4-6/h3H,4H2,1-2H3

InChI key

LOYZVRIHVZEDMW-UHFFFAOYSA-N

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Application

3,3-Dimethylallyl bromide was used in the synthesis of 1- and 2-allylic-3-methylindoles. It was also used in the synthesis of products and base-modified pyrimidine nucleosides.

Signal Word

Danger

Hazard Statements

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1B

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

104.0 °F - closed cup

Flash Point(C)

40 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Electrophilic substitution in indoles?I: Model experiments related to the synthesis of echinulin.
Tetrahedron, 21(5), 989-1000 (1965)
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