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Isotope-labelled compounds

Catechol-d4

Also known as 3,4,5,6-Tetradeuteriobenzene-1,2-diol, Pyrocatechol-3,4,5,6-d4, 1,2-Benzene-3,4,5,6-d4-diol, 1,2-Benzenediol-3,4,5,6-D4, Catechol-3,4,5,6-D4, Catechol (ring-D4), Benzene-1,2-diol (ring-D4)

CAS 103963-58-2Formula C6H6O2Molar mass 114.14 g/molEC 808-425-0
GHS signal word: Danger. Pictograms: Corrosive, Acute toxicity (severe), Harmful or irritant, Serious health hazard
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Catechol-d4 chemical structure, C6H6O2, CAS 103963-58-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
103963-58-2
Formula
C6H6O2
Molar mass
114.14 g/mol
EC number
808-425-0
HS code
284590
Category
Isotope-labelled compounds

What is Catechol-d4?

Plain description, key identifiers and synonyms

Catechol-d4 is a chemical substance with the molecular formula C6H6O2 and a molar mass of 114.14 g/mol. Its CAS registry number is 103963-58-2. The IUPAC name is 3,4,5,6-tetradeuteriobenzene-1,2-diol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3,4,5,6-tetradeuteriobenzene-1,2-diol
CAS number
103963-58-2
EC number
808-425-0
Molecular formula
C6H6O2
MDL number
MFCD12964984
InChIKey
YCIMNLLNPGFGHC-RHQRLBAQSA-N
InChI
InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H/i1D,2D,3D,4D
Canonical SMILES
Oc1ccccc1O
Isomeric SMILES
[2H]C1=C(C(=C(C(=C1[2H])O)O)[2H])[2H]

Synonyms

  • 3,4,5,6-Tetradeuteriobenzene-1,2-diol
  • Pyrocatechol-3,4,5,6-d4
  • 1,2-Benzene-3,4,5,6-d4-diol, 1,2-Benzenediol-3,4,5,6-D4, Catechol-3,4,5,6-D4, Catechol (ring-D4), Benzene-1,2-diol (ring-D4)
  • (H)benzene-1,2-diol
  • ((2)H)benzene-1,2-diol
  • 1,2-Dihydroxybenzene-d4, 96 atom % D, 95% (CP)

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
114.14 g/molcalc.
Exact mass
114.0619 Dacalc.
LogP (octanol/water)
1.1calc.
Topological polar surface area
40.46 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
0calc.
Heavy atoms
8calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS05: Corrosive
Corrosive
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H301 + H311Toxic if swallowed. Toxic in contact with skin.
  • H301Toxic if swallowed.
  • H311Toxic in contact with skin.
  • H315Causes skin irritation.
  • H317May cause an allergic skin reaction.
  • H318Causes serious eye damage.
  • H332Harmful if inhaled.
  • H341Suspected of causing genetic defects.
Precautionary statements (24)
  • P203Obtain, read and follow all safety instructions before use.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P262Do not get in eyes, on skin, or on clothing.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P272Contaminated work clothing should not be allowed out of the workplace.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P316Get emergency medical help immediately.
  • P317Get medical help.
  • P318If exposed or concerned, get medical advice.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P333 + P317If skin irritation or rash occurs: Get medical help.
  • P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Catechol-d4 suppliers

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Catechol-d4 price

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Catechol-d4 is traded under.

HS 2845.90Indicative HS code

Compounds, inorganic or organic, of such isotopes, whether or not chemically defined

World exports in 2024
$2.67B
+19.0% vs 2023, imports $1.67B
2019 to 2024
Top exporters
  1. Ireland55.3%
  2. Hong Kong11.8%
  3. United States10.7%
Top importers
  1. China24.3%
  2. Ireland21.9%
  3. South Korea13.3%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Catechol-d4 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Catechol-d4, based on the data on this page

What is Catechol-d4?

Catechol-d4 is a chemical substance with the molecular formula C6H6O2 and a molar mass of 114.14 g/mol. Its CAS registry number is 103963-58-2. The IUPAC name is 3,4,5,6-tetradeuteriobenzene-1,2-diol.

What is the CAS number of Catechol-d4?

The CAS registry number of Catechol-d4 is 103963-58-2.

What is the molecular formula and weight of Catechol-d4?

The molecular formula of Catechol-d4 is C6H6O2 and its molar mass is 114.14 g/mol.

What is Catechol-d4 used for?

Known uses and roles of Catechol-d4 include isotope-labelled compounds in research and laboratory.

Is Catechol-d4 hazardous?

Catechol-d4 carries the GHS signal word "Danger". Main hazards: toxic if swallowed. toxic in contact with skin, toxic if swallowed, toxic in contact with skin. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Catechol-d4?

Catechol-d4 is usually classified under HS code 284590 (Isotopes other than those of heading 2844, compounds, inorganic or organic, of such…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Catechol-d4?

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What is the price of Catechol-d4?

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Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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