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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:
1730872
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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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.[1][2][3]
  • It serves as an effective chlorinating agent, in combination with the ionic liquid, 1-butyl-3-methylimidazolium bromide for converting alcohols into chlorides.[4]
  • It can also be used to prepare tert-butyl ethers by treating with corresponding alcohols.[5]

Pictograms

Flame

Signal Word

Danger

Hazard Statements

Hazard Classifications

Flam. Liq. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

-14.8 °F - closed cup

Flash Point(C)

-26 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

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Improved procedure for preparation of t-alkyl aryl ethers.
Camps F, et al.
Synthesis, 03, 186-188 (1982)
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)
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)
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)
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)

Questions

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  1. How can I determine the shelf life / expiration / retest date of this product?

    1 answer
    1. If this product has an expiration or retest date, it will be shown on the Certificate of Analysis (COA, CofA). If there is no retest or expiration date listed on the product's COA, we do not have suitable stability data to determine a shelf life. For these products, the only date on the COA will be the release date; a retest, expiration, or use-by-date will not be displayed.
      For all products, we recommend handling per defined conditions as printed in our product literature and website product descriptions. We recommend that products should be routinely inspected by customers to ensure they perform as expected.
      For products without retest or expiration dates, our standard warranty of 1 year from the date of shipment is applicable.
      For more information, please refer to the Product Dating Information document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/449/386/product-dating-information-mk.pdf

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  2. How is shipping temperature determined? And how is it related to the product storage temperature?

    1 answer
    1. Products may be shipped at a different temperature than the recommended long-term storage temperature. If the product quality is sensitive to short-term exposure to conditions other than the recommended long-term storage, it will be shipped on wet or dry-ice. If the product quality is NOT affected by short-term exposure to conditions other than the recommended long-term storage, it will be shipped at ambient temperature. As shipping routes are configured for minimum transit times, shipping at ambient temperature helps control shipping costs for our customers. For more information, please refer to the Storage and Transport Conditions document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/316/622/storage-transport-conditions-mk.pdf

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