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16940

Sigma-Aldrich

1-Bromo-2,2-dimethylpropane

purum, ≥98.0% (GC)

Synonym(s):

Neopentyl bromide

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About This Item

Linear Formula:
(CH3)3CCH2Br
CAS Number:
630-17-1
Molecular Weight:
151.04
Beilstein/REAXYS Number:
1730989
EC Number:
211-132-5
MDL number:
MFCD00000209
UNSPSC Code:
12352100
PubChem Substance ID:
24850267

grade

purum

assay

≥98.0% (GC)

refractive index

n20/D 1.436 (lit.)
n20/D 1.436

bp

105-106 °C/767 mmHg (lit.)

density

1.199 g/mL at 25 °C (lit.)

SMILES string

CC(C)(C)CBr

InChI

1S/C5H11Br/c1-5(2,3)4-6/h4H2,1-3H3

InChI key

CQWYAXCOVZKLHY-UHFFFAOYSA-N

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application

1-Bromo-2,2-dimethylpropane was used in the synthesis of S-alkylated cysteine derivatives with branched alkyl chains. It was used in synthesis of secondary amines from alkyl tosylates or alkyl halides via nucleophilic substitution reaction.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

44.6 °F - closed cup

flash_point_c

7 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
1366398V
1366398
1346081
1300309
016954/1

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Carmen E Lisowski et al.
The journal of physical chemistry. A, 114(38), 10395-10402 (2010-09-03)
The recombination of chloromethyl and t-butyl radicals at room temperature was used to generate neopentyl chloride molecules with 89 kcal mol(-1) of internal energy. The observed unimolecular reactions, which give 2-methyl-2-butene and 2-methyl-1-butene plus HCl, as products, are explained by
J Ashby et al.
Mutation research, 140(2-3), 71-74 (1984-06-01)
Neopentyl bromide and pentaerythrityl tetrachloride were shown here to be non-mutagenic to 7 strains of Salmonella typhimurium. These inactivities are reflected in the inability of either compound to produce a colour reaction in the chemical alkylation test of Epstein (4-nitrobenzylpyridine
An improved method for cysteine alkylation.
Perrey DA and Uckun FM.
Tetrahedron Letters, 42(10), 1859-1861 (2001)
Direct mono-N-alkylation of amines in ionic liquids: chemoselectivity and reactivity.
Chiappe C and Pieraccini D.
Green Chemistry, 5(2), 193-197 (2003)

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