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249890

1-Bromo-2,2-dimethylpropane

Name: 1-Bromo-2,2-dimethylpropane
Brand: ALDRICH

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

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Properties

Quality Level

200

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

SMILES string

CC(C)(C)CBr

InChI

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

InChI key

CQWYAXCOVZKLHY-UHFFFAOYSA-N

Description

pictograms

GHS02,GHS07

signalword

Danger

hcodes

H225,H315,H319,H335

pcodes

P210 - P233 - P240 - P241 - P303 + P361 + P353 - P305 + P351 + P338

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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Isomerization of neopentyl chloride and neopentyl bromide by a 1,2-interchange of a halogen atom and a methyl group.

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

Lack of mutagenicity to S. typhimurium of neopentyl bromide and pentaerythrityl tetrachloride: relation to chemical structure.

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)

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Global Trade Item Number

SKU	GTIN
249890-25G	04061825936703
249890-5G	04061825936710