Catechol-d6 | CAS No. 202656-22-2

Catechol-d6

Basic Information

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CAS Number

202656-22-2

Molecular Formula

C6H6O2

Molecular Weight

116.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

SMILES

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C1=CC=C(C(=C1)O)O

InChI

InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H/i1D,2D,3D,4D/hD2

InChIKey

YCIMNLLNPGFGHC-UDDMDDBKSA-N

Complexity

62.9

Synonyms & References

English

Catechol-d6
1,2-Dihydroxybenzene-d6, 98 atom % D, 98% (CP)
1, 2, 3, 4-tetradeuterio-5, 6-dideuteriooxybenzene
1,2-Dihydroxybenzene-d6
1,2,3,4-tetradeuterio-5,6-dideuteriooxybenzene
202656-22-2
SCHEMBL13916523
1,2-Benzene-3,4,5,6-d4-diol-d2
D99098
Pyrogallol-d6

MDL Number

MFCD00143934

FAQ

What are the physical and chemical properties of Catechol-d6 (CAS: 202656-22-2)?

Catechol-d6 (CAS: 202656-22-2) is a d6-labeled isomer of catechol. It appears as a white or off-white crystalline solid at room temperature. The molecular weight is approximately 154.16 g/mol. Catechol-d6 is slightly soluble in water and ethanol. It exhibits reducing properties and is known for its reactivity in aromatic substitution reactions. Its deuteration helps in the study of enzyme kinetics and metabolic pathways.

How is Catechol-d6 (CAS: 202656-22-2) typically synthesized?

Catechol-d6 (CAS: 202656-22-2) is typically synthesized through the deuteration of catechol via a hydrogen exchange reaction using D2O (heavy water) as the deuterium source. The reaction is catalyzed by a basic condition, often using sodium hydroxide. The synthetic process yields a high purity product with high selectivity for deuteration at the ortho positions of the phenol ring.

What industries use Catechol-d6 (CAS: 202656-22-2)?

Catechol-d6 (CAS: 202656-22-2) is used in various industries including pharmaceuticals for studying metabolic pathways, sensors for detecting environmental pollutants, and semiconductor manufacturing for dopant analysis. Additionally, it is utilized in polymer science to investigate polymerization reactions under controlled conditions.

What precautions should be taken when handling Catechol-d6 (CAS: 202656-22-2)?

When handling Catechol-d6 (CAS: 202656-22-2), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coat. Work should be conducted in a well-ventilated environment or a fume hood to avoid inhalation or skin contact. Spills should be cleaned up using appropriate absorbents and disposed of according to local regulations. For detailed safety information, refer to the Safety Data Sheet (SDS).