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Merck
CN

249890

1-Bromo-2,2-dimethylpropane

98%

Synonym(s):

Neopentyl bromide

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About This Item

Linear Formula:
(CH3)3CCH2Br
CAS Number:
630-17-1
Molecular Weight:
151.04
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24855020
EC Number:
211-132-5
Beilstein/REAXYS Number:
1730989
MDL number:
MFCD00000209
Assay:
98%
Form:
liquid

Key Documents

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Product Name

1-Bromo-2,2-dimethylpropane, 98%

InChI key

CQWYAXCOVZKLHY-UHFFFAOYSA-N

InChI

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

SMILES string

CC(C)(C)CBr

assay

98%

form

liquid

refractive index

n20/D 1.436 (lit.)

bp

105-106 °C/767 mmHg (lit.)

density

1.199 g/mL at 25 °C (lit.)

functional group

alkyl halide
bromo

Quality Level

200

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Related Categories

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

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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCBW8654
BCBT8790
BCBP6885V
BCBB8728V
BCBB8728

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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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