16940
1-Bromo-2,2-dimethylpropane
purum, ≥98.0% (GC)
Synonym(s):
Neopentyl bromide
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About This Item
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.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
3 - Flammable liquids
WGK
WGK 3
Flash Point(F)
44.6 °F - closed cup
Flash Point(C)
7 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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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
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.
Tetrahedron Letters, 42(10), 1859-1861 (2001)
Direct mono-N-alkylation of amines in ionic liquids: chemoselectivity and reactivity.
Green Chemistry, 5(2), 193-197 (2003)
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