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Key Documents

C56352

Sigma-Aldrich

2-Chloro-2-methylpropane

99%

Synonym(s):

tert-Butyl chloride

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About This Item

Linear Formula:
(CH3)3CCl
CAS Number:
Molecular Weight:
92.57
Beilstein/REAXYS Number:
1730872
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

vapor density

3.2 (vs air)

Quality Level

vapor pressure

4.82 psi ( 20 °C)

assay

99%

form

liquid

refractive index

n20/D 1.385 (lit.)

bp

51-52 °C (lit.)

mp

−25 °C (lit.)

density

0.851 g/mL at 25 °C (lit.)

SMILES string

CC(C)(C)Cl

InChI

1S/C4H9Cl/c1-4(2,3)5/h1-3H3

InChI key

NBRKLOOSMBRFMH-UHFFFAOYSA-N

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Application

  • 2-Chloro-2-methylpropane is an alkylating agent that is used to functionalize molecules with tert-butyl group.
  • It serves as an effective chlorinating agent, in combination with the ionic liquid, 1-butyl-3-methylimidazolium bromide for converting alcohols into chlorides.
  • It can also be used to prepare tert-butyl ethers by treating with corresponding alcohols.

pictograms

Flame

signalword

Danger

hcodes

Hazard Classifications

Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk_germany

WGK 1

flash_point_f

-14.8 °F - closed cup

flash_point_c

-26 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves


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Direct Halogenation of Alcohols and Their Derivatives with tert?Butyl Halides in the Ionic Liquid [pmIm]Br under Sonication Conditions?A Novel, Efficient and Green Methodology.
Ranu B C and Jana R
European Journal of Organic Chemistry, 2005(4), 755-758 (2005)
Palladium-Catalyzed Cyclization: Regioselectivity and Structure of Arene-Fused C60 Derivatives.
Hashikawa Y, et al.
Journal of the American Chemical Society, 139(45), 16350-16358 (2017)
Pyrene?Based Y?shaped Solid?State Blue Emitters: Synthesis, Characterization, and Photoluminescence.
Feng X, et al.
Chemistry - An Asian Journal, 7(12), 2854-2863 (2012)
Improved procedure for preparation of t-alkyl aryl ethers.
Camps F, et al.
Synthesis, 03, 186-188 (1982)
Synthesis and characterization of teranthene: a singlet biradical polycyclic aromatic hydrocarbon having Kekule structures.
Konishi A, et al.
Journal of the American Chemical Society, 132(32), 11021-11023 (2010)

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