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Screening compounds

Bis(pentachlorophenyl) hexanedioate

CAS 7445-57-0Formula C18H8Cl10O4Molar mass 642.79 g/mol
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Bis(pentachlorophenyl) hexanedioate chemical structure, C18H8Cl10O4, CAS 7445-57-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
7445-57-0
Formula
C18H8Cl10O4
Molar mass
642.79 g/mol
HS code
291712
Category
Screening compounds

What is Bis(pentachlorophenyl) hexanedioate?

Plain description, key identifiers and synonyms

Bis(pentachlorophenyl) hexanedioate is a chemical substance with the molecular formula C18H8Cl10O4 and a molar mass of 642.79 g/mol. Its CAS registry number is 7445-57-0. The IUPAC name is bis(2,3,4,5,6-pentachlorophenyl) hexanedioate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
bis(2,3,4,5,6-pentachlorophenyl) hexanedioate
CAS number
7445-57-0 CAS number cross-checked
Molecular formula
C18H8Cl10O4
InChIKey
SBOQYYUSVQMMOT-UHFFFAOYSA-N
InChI
InChI=1S/C18H8Cl10O4/c19-7-9(21)13(25)17(14(26)10(7)22)31-5(29)3-1-2-4-6(30)32-18-15(27)11(23)8(20)12(24)16(18)28/h1-4H2
SMILES (canonical and isomeric)
C(CCC(=O)OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)CC(=O)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl

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
642.79 g/molcalc.
Exact mass
637.7308 Dacalc.
LogP (octanol/water)
10.29calc.
Topological polar surface area
52.6 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
7calc.
Heavy atoms
32calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.22calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Fails (2 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, O=C(CCCCC(=O)Oc1ccccc1)Oc1ccccc1

O=C(CCCCC(=O)Oc1ccccc1)Oc1ccccc1

2 rings, 22 atoms, the 1,6-Diphenyl hexanedioate ring system.

16 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.

Bis(pentachlorophenyl) hexanedioate suppliers

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Bis(pentachlorophenyl) hexanedioate 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 Bis(pentachlorophenyl) hexanedioate is traded under.

HS 2917.12Indicative HS code

Adipic acid, its salts and esters

World exports in 2024
$1.21B
−0.8% vs 2023, imports $1.32B
2019 to 2024
Top exporters
  1. China48.8%
  2. United States18.4%
  3. France * partner reported7.4%
Top importers
  1. Italy17.5%
  2. Canada8.9%
  3. Turkey8.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Bis(pentachlorophenyl) hexanedioate, based on the data on this page

What is Bis(pentachlorophenyl) hexanedioate?

Bis(pentachlorophenyl) hexanedioate is a chemical substance with the molecular formula C18H8Cl10O4 and a molar mass of 642.79 g/mol. Its CAS registry number is 7445-57-0. The IUPAC name is bis(2,3,4,5,6-pentachlorophenyl) hexanedioate.

What is the CAS number of Bis(pentachlorophenyl) hexanedioate?

The CAS registry number of Bis(pentachlorophenyl) hexanedioate is 7445-57-0.

What is the molecular formula and weight of Bis(pentachlorophenyl) hexanedioate?

The molecular formula of Bis(pentachlorophenyl) hexanedioate is C18H8Cl10O4 and its molar mass is 642.79 g/mol.

What is Bis(pentachlorophenyl) hexanedioate used for?

Known uses and roles of Bis(pentachlorophenyl) hexanedioate include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Bis(pentachlorophenyl) hexanedioate hazardous?

No GHS hazard classification for Bis(pentachlorophenyl) hexanedioate 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 Bis(pentachlorophenyl) hexanedioate?

Bis(pentachlorophenyl) hexanedioate is usually classified under HS code 291712 (Adipic acid, its salts and esters). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Bis(pentachlorophenyl) hexanedioate?

Post a free request on CompoundList and suppliers of Bis(pentachlorophenyl) hexanedioate will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Bis(pentachlorophenyl) hexanedioate?

Suppliers quote Bis(pentachlorophenyl) hexanedioate 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 Bis(pentachlorophenyl) hexanedioate

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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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