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Merck
CN

490512

Sigma-Aldrich

Phenol-2,4,6-d3

≥98 atom % D, ≥99% (CP)

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About This Item

Linear Formula:
D3C6H2OH
CAS Number:
7329-50-2
Molecular Weight:
97.13
MDL number:
MFCD00084163
UNSPSC Code:
12352001
PubChem Substance ID:
24872570
NACRES:
NA.12

Key Documents

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isotopic purity

≥98 atom % D

Assay

≥99% (CP)

form

solid

bp

182 °C (lit.)

mp

40-42 °C (lit.)

density

1.105 g/mL at 25 °C

mass shift

M+3

SMILES string

[2H]c1cc([2H])c(O)c([2H])c1

InChI

1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H/i1D,4D,5D

InChI key

ISWSIDIOOBJBQZ-NHPOFCFZSA-N

Related Categories

General description

Phenol-2,4,6-d3 ≥98 atom % D, ≥99% (CP) 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.

Application

- Advanced materials research and development
- Environmental monitoring applications
- Analytical method development
- Chemical synthesis of labeled compounds

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.

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Chronic 2 - Eye Dam. 1 - Muta. 2 - Skin Corr. 1B - STOT RE 2

Target Organs

Nervous system,Kidney,Liver,Skin

Storage Class Code

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 2

Flash Point(F)

174.2 °F - closed cup

Flash Point(C)

79 °C - closed cup

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MBBC8950
EB0957
SZ0624
TV0005
11677DS

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Yehia Z Baghdady et al.
Analytica chimica acta, 1036, 195-203 (2018-09-27)
Metabolite profiling can be used as a diagnostic measure for both short and long term co-exposure by individuals to benzene, toluene, ethylbenzene and xylenes (BTEX). A novel one pot derivatization in situ kit (OPDISK) was developed and optimized using a

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