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Isotope-labelled compounds

Phenol-OD

Also known as Deuteriooxybenzene, [(?H)oxy]benzene

CAS 1003-66-3Formula C6H6OMolar mass 95.12 g/molEC 677-659-1
GHS signal word: Danger. Pictograms: Corrosive, Acute toxicity (severe), Serious health hazard
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Phenol-OD chemical structure, C6H6O, CAS 1003-66-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1003-66-3
Formula
C6H6O
Molar mass
95.12 g/mol
EC number
677-659-1
HS code
284590
Category
Isotope-labelled compounds

What is Phenol-OD?

Plain description, key identifiers and synonyms

Phenol-OD is a chemical substance with the molecular formula C6H6O and a molar mass of 95.12 g/mol. Its CAS registry number is 1003-66-3. The IUPAC name is deuteriooxybenzene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
deuteriooxybenzene
CAS number
1003-66-3
EC number
677-659-1
Molecular formula
C6H6O
InChIKey
ISWSIDIOOBJBQZ-DYCDLGHISA-N
InChI
InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H/i/hD
Canonical SMILES
Oc1ccccc1
Isomeric SMILES
[2H]OC1=CC=CC=C1

Synonyms

  • Deuteriooxybenzene
  • [(?H)oxy]benzene

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
95.12 g/molcalc.
Exact mass
95.0481 Dacalc.
LogP (octanol/water)
1.39calc.
Topological polar surface area
20.23 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
1calc.
Heavy atoms
7calc.
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)
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H301Toxic if swallowed.
  • H311Toxic in contact with skin.
  • H314Causes severe skin burns and eye damage.
  • H330Fatal if inhaled.
  • H341Suspected of causing genetic defects.
  • H373May cause damage to organs through prolonged or repeated exposure.
Precautionary statements (25)
  • P203Obtain, read and follow all safety instructions before use.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P262Do not get in eyes, on skin, or on clothing.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P284In case of inadequate ventilation wear respiratory protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P301 + P330 + P331If swallowed: Rinse mouth. Do not induce vomiting.
  • P302 + P352If on skin: Wash with plenty of water.
  • P302 + P361 + P354If on skin: Take off immediately all contaminated clothing. Immediately rinse with water for several minutes.
  • 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.
  • P318If exposed or concerned, get medical advice.
  • P319Get medical help if you feel unwell.
  • P320Specific treatment is urgent (see supplemental first aid instructions on the label).
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
  • P363Wash contaminated clothing before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • 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

Phenol-OD suppliers

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Phenol-OD price

Indicative price range per kg from live supplier offers

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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 Phenol-OD 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 Phenol-OD is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Phenol-OD, based on the data on this page

What is Phenol-OD?

Phenol-OD is a chemical substance with the molecular formula C6H6O and a molar mass of 95.12 g/mol. Its CAS registry number is 1003-66-3. The IUPAC name is deuteriooxybenzene.

What is the CAS number of Phenol-OD?

The CAS registry number of Phenol-OD is 1003-66-3.

What is the molecular formula and weight of Phenol-OD?

The molecular formula of Phenol-OD is C6H6O and its molar mass is 95.12 g/mol.

What is Phenol-OD used for?

Known uses and roles of Phenol-OD include isotope-labelled compounds in research and laboratory.

Is Phenol-OD hazardous?

Phenol-OD carries the GHS signal word "Danger". Main hazards: toxic if swallowed, toxic in contact with skin, causes severe skin burns and eye damage. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Phenol-OD?

Phenol-OD 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 Phenol-OD?

Post a free request on CompoundList and suppliers of Phenol-OD will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Phenol-OD?

Suppliers quote Phenol-OD on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Phenol-OD

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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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