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Isotope-labelled compounds

Pentachlorophenol-13C6

Also known as Pentachlorophenol 13C6, 2,3,4,5,6-pentachloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-ol, C6HCl5O

CAS 85380-74-1Formula C6HCl5OMolar mass 272.29 g/molEC 690-346-4
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Pentachlorophenol-13C6 chemical structure, C6HCl5O, CAS 85380-74-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
85380-74-1
Formula
C6HCl5O
Molar mass
272.29 g/mol
EC number
690-346-4
HS code
284590
Category
Isotope-labelled compounds

What is Pentachlorophenol-13C6?

Plain description, key identifiers and synonyms

Pentachlorophenol-13C6 is a chemical substance with the molecular formula C6HCl5O and a molar mass of 272.29 g/mol. Its CAS registry number is 85380-74-1. The IUPAC name is 2,3,4,5,6-pentachloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-ol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2,3,4,5,6-pentachloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-ol
CAS number
85380-74-1 CAS number cross-checked
EC number
690-346-4
Molecular formula
C6HCl5O
MDL number
MFCD00145077
InChIKey
IZUPBVBPLAPZRR-IDEBNGHGSA-N
InChI
InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H/i1+1,2+1,3+1,4+1,5+1,6+1
Canonical SMILES
Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
Isomeric SMILES
[13C]1(=[13C]([13C](=[13C]([13C](=[13C]1Cl)Cl)Cl)Cl)Cl)O

Synonyms

  • Pentachlorophenol 13C6
  • 2,3,4,5,6-pentachloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-ol
  • C6HCl5O
  • Phenol-1,2,3,4,5,6-13C6, 2,3,4,5,6-pentachloro-, Phenol-13C6, pentachloro- (9CI), 2,3,4,5,6-Pentachlorophenol-1,2,3,4,5,6-13C6, Pentachlorophenol 13C6
  • Pentachloro(~13~C_6_)phenol
  • Pentachlorophenol-13C6 1000 |Ig/mL in Methanol
  • Pentachlorophenol 13C6 100 |Ig/mL in Cyclohexane
  • Pentachlorophenol-13C6 1000 microg/mL in Methanol
  • Pentachlorophenol 13C6 100 microg/mL in Cyclohexane
  • Pentachlorophenol-13C6, 99 atom % 13C, 98% (CP)
  • Phenol-1,2,3,4,5,6-13C6, 2,3,4,5,6-pentachloro-

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
272.29 g/molcalc.
Exact mass
269.8671 Dacalc.
LogP (octanol/water)
4.66calc.
Topological polar surface area
20.23 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
0calc.
Heavy atoms
12calc.
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

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Pentachlorophenol-13C6 suppliers

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Pentachlorophenol-13C6 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 Pentachlorophenol-13C6 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 Pentachlorophenol-13C6 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Pentachlorophenol-13C6, based on the data on this page

What is Pentachlorophenol-13C6?

Pentachlorophenol-13C6 is a chemical substance with the molecular formula C6HCl5O and a molar mass of 272.29 g/mol. Its CAS registry number is 85380-74-1. The IUPAC name is 2,3,4,5,6-pentachloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-ol.

What is the CAS number of Pentachlorophenol-13C6?

The CAS registry number of Pentachlorophenol-13C6 is 85380-74-1.

What is the molecular formula and weight of Pentachlorophenol-13C6?

The molecular formula of Pentachlorophenol-13C6 is C6HCl5O and its molar mass is 272.29 g/mol.

What is Pentachlorophenol-13C6 used for?

Known uses and roles of Pentachlorophenol-13C6 include isotope-labelled compounds in research and laboratory.

Is Pentachlorophenol-13C6 hazardous?

No GHS hazard classification for Pentachlorophenol-13C6 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Pentachlorophenol-13C6?

Pentachlorophenol-13C6 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 Pentachlorophenol-13C6?

Post a free request on CompoundList and suppliers of Pentachlorophenol-13C6 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Pentachlorophenol-13C6?

Suppliers quote Pentachlorophenol-13C6 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 Pentachlorophenol-13C6

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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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