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274496

1-Chloro-2,2-dimethylpropane

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

98%

Synonym(s):

Neopentyl chloride

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About This Item

Linear Formula:

(CH₃)₃CCH₂Cl

CAS Number:

753-89-9

Molecular Weight:

106.59

NACRES:

NA.22

PubChem Substance ID:

24856587

UNSPSC Code:

12352100

EC Number:

212-040-8

MDL number:

MFCD00000941

Assay:

98%

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Properties

Quality Segment

100

assay

98%

refractive index

n20/D 1.4039 (lit.)

bp

84-85 °C (lit.)

mp

−20 °C (lit.)

density

0.866 g/mL at 25 °C (lit.)

functional group

alkyl halide, chloro

SMILES string

CC(C)(C)CCl

InChI

1S/C5H11Cl/c1-5(2,3)4-6/h4H2,1-3H3

InChI key

JEKYMVBQWWZVHO-UHFFFAOYSA-N

Description

Application

1-Chloro-2,2-dimethylpropane was used as a substrate to perform the quantum mechanics calculations on LinB (a 33-kDa haloalkane dehalogenase from Sphingomonas paucimobilis UT26) to study which active site conformations and protonation states were eligible to result in catalysis.

pictograms

GHS02,GHS08,GHS07

signalword

Danger

hcodes

H225,H302,H317,H334

pcodes

P210 - P233 - P240 - P280 - P301 + P312 - P303 + P361 + P353

Hazard Classifications

Acute Tox. 4 Oral - Flam. Liq. 2 - Resp. Sens. 1 - Skin Sens. 1

Storage Class

3 - Flammable liquids

flash_point_f

15.8 °F - closed cup

flash_point_c

-9 °C - closed cup

ppe

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

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