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Merck
CN

185949

2-Chloro-2-methylpropane-d9

greener alternative

99 atom % D

Synonym(s):

tert-Butyl-d9 chloride

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About This Item

Linear Formula:
(CD3)3CCl
CAS Number:
918-20-7
Molecular Weight:
101.62
NACRES:
NA.12
PubChem Substance ID:
24851191
UNSPSC Code:
12352005
EC Number:
213-041-6
MDL number:
MFCD00055681
Isotopic purity:
99 atom % D
Assay:
99% (CP)
Mass shift:
M+9

Key Documents

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InChI key

NBRKLOOSMBRFMH-GQALSZNTSA-N

InChI

1S/C4H9Cl/c1-4(2,3)5/h1-3H3/i1D3,2D3,3D3

SMILES string

[2H]C([2H])([2H])C(Cl)(C([2H])([2H])[2H])C([2H])([2H])[2H]

vapor pressure

5.11 psi ( 20 °C)

isotopic purity

99 atom % D

assay

99% (CP)

greener alternative product score

old score: 4
new score: 1
Find out more about DOZN™ Scoring

greener alternative product characteristics

Waste Prevention
Atom Economy
Use of Renewable Feedstocks
Learn more about the Principles of Green Chemistry.

sustainability

Greener Alternative Product

refractive index

n20/D 1.3819 (lit.)

bp

51-52 °C (lit.)

mp

-25 °C (lit.)

density

0.933 g/mL at 25 °C

greener alternative category

Re-engineered

mass shift

M+9

Quality Level

200

Related Categories

General description

2-Chloro-2-methylpropane-d9 99 atom % D is a high-purity isotope product with a unique chemical profile that belongs to the class of isotopes. Produced by Sigma-Aldrich, we are committed to providing quality isotope products and a reliable supply chain. Available in industrial and pre-pack quantities.
We are committed to bringing you Greener Alternative Products that adhere to one of the four categories of Greener Alternatives. This product belongs to the category of Re-engineered Products, demonstrating key improvements in Green Chemistry Principles such as ′Waste Prevention′, ′Atom Economy′, and ′Use of Renewable Feedstocks′. Click here to view its DOZN scorecard.

Application

- reaction mechanism investigations
- Chemical synthesis of labeled compounds
- Environmental monitoring applications
- Mass spectrometry calibration

Features and Benefits

Features
- High reactivity for various applications
- Supports innovative research in drugdiscovery
- Produces minimal side products
- Suitable for a variety of biological studies

Benefits
- Streamlines the drug discoveryprocess
- Enhances the effectiveness of biological assays
- Improves the accuracy of metabolic studies
- Supports the advancement of personalized medicine

Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

pictograms

Flame
GHS02

signalword

Danger

hcodes

H225

pcodes

P210

Hazard Classifications

Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

-9.4 °F - closed cup

flash_point_c

-23.00 °C - closed cup

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
MBBD5049
MBBC8687
MBBC5714
MBBC5274
MBBC1873

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Valerie L Colley et al.
Drug testing and analysis, 7(3), 241-246 (2014-10-11)
South American 'crack' cocaine, produced directly from coca leaf, can be distinguished from US domestically produced crack on the basis of occluded solvent profiles. In addition, analysis of domestically produced crack indicates the solvents that were used for cocaine hydrochloride

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