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Aromatic building blocks

Pentachlorophenyl laurate

Also known as Pentachlorophenyl dodecanoate, Mystox LPL, Mystox

CAS 3772-94-9Formula C18H23Cl5O2Molar mass 448.65 g/molEC 223-220-0
GHS signal word: Danger. Pictograms: Acute toxicity (severe), Serious health hazard
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Pentachlorophenyl laurate chemical structure, C18H23Cl5O2, CAS 3772-94-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3772-94-9
Formula
C18H23Cl5O2
Molar mass
448.65 g/mol
EC number
223-220-0
HS code
291590
Category
Aromatic building blocks

What is Pentachlorophenyl laurate?

Plain description, key identifiers and synonyms

Pentachlorophenyl laurate is a chemical substance with the molecular formula C18H23Cl5O2 and a molar mass of 448.65 g/mol. Its CAS registry number is 3772-94-9. The IUPAC name is (2,3,4,5,6-pentachlorophenyl) dodecanoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2,3,4,5,6-pentachlorophenyl) dodecanoate
CAS number
3772-94-9 CAS number cross-checked
EC number
223-220-0
Molecular formula
C18H23Cl5O2
UNII
W6129G97EO
MDL number
MFCD00050976
InChIKey
MKNJWAXSYGAMGJ-UHFFFAOYSA-N
InChI
InChI=1S/C18H23Cl5O2/c1-2-3-4-5-6-7-8-9-10-11-12(24)25-18-16(22)14(20)13(19)15(21)17(18)23/h2-11H2,1H3
SMILES (canonical and isomeric)
CCCCCCCCCCCC(=O)OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl

Synonyms

  • Pentachlorophenyl dodecanoate
  • Mystox LPL
  • Mystox
  • Mystox LSD
  • Mystox LSL
  • Dodecanoic acid, pentachlorophenyl ester
  • Lauryl pentachlorophenate
  • Lauroyl pentachlorophenate
  • Dodecanoic acid, 2,3,4,5,6-pentachlorophenyl ester
  • Lauric acid, pentachlorophenyl ester (6CI,7CI,8CI)
  • perchlorophenyl dodecanoate
  • (2,3,4,5,6-pentachlorophenyl) dodecanoate
  • Pentachlorophenol dodecanoate
  • Lauric acid, pentachlorophenyl ester
  • Dodecanoic acid,2,3,4,5,6-pentachlorophenyl ester
  • Pentachlorophenol laurate
  • C18H23Cl5O2
  • Pentachlorophenyl laurate Solution in Acetonitrile, 1000ug/mL
  • Pentachlorophenyl laurate Solution in Acetonitrile, 100ug/mL

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
448.65 g/molcalc.
Exact mass
446.0141 Dacalc.
LogP (octanol/water)
8.78calc.
Topological polar surface area
26.3 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
11calc.
Heavy atoms
25calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.61calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (1 violation)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
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H301Toxic if swallowed.
  • H350May cause cancer.
Precautionary statements (10)
  • P203Obtain, read and follow all safety instructions before use.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P318If exposed or concerned, get medical advice.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • 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

Pentachlorophenyl laurate suppliers

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Pentachlorophenyl laurate 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

United States

  • TSCA inventory (USA)
    Status: Active in US commerce, Regulatory flags: Section 4 test rule or order

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Pentachlorophenyl laurate is traded under.

HS 2915.90Indicative HS code

Saturated acyclic monocarboxylic acids, anhydrides, halides, peroxides, peroxyacids and halogenated…

World exports in 2024
$3.42B
+5.6% vs 2023, imports $3.55B
2019 to 2024
Top exporters
  1. Indonesia15.9%
  2. Germany13.0%
  3. Malaysia12.4%
Top importers
  1. China14.4%
  2. Netherlands11.7%
  3. United States11.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Pentachlorophenyl laurate, based on the data on this page

What is Pentachlorophenyl laurate?

Pentachlorophenyl laurate is a chemical substance with the molecular formula C18H23Cl5O2 and a molar mass of 448.65 g/mol. Its CAS registry number is 3772-94-9. The IUPAC name is (2,3,4,5,6-pentachlorophenyl) dodecanoate.

What is the CAS number of Pentachlorophenyl laurate?

The CAS registry number of Pentachlorophenyl laurate is 3772-94-9.

What is the molecular formula and weight of Pentachlorophenyl laurate?

The molecular formula of Pentachlorophenyl laurate is C18H23Cl5O2 and its molar mass is 448.65 g/mol.

What is Pentachlorophenyl laurate used for?

Known uses and roles of Pentachlorophenyl laurate include building blocks in research and laboratory.

Is Pentachlorophenyl laurate hazardous?

Pentachlorophenyl laurate carries the GHS signal word "Danger". Main hazards: toxic if swallowed, may cause cancer. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Pentachlorophenyl laurate?

Pentachlorophenyl laurate is usually classified under HS code 291590 (Saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pentachlorophenyl laurate?

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What is the price of Pentachlorophenyl laurate?

Suppliers quote Pentachlorophenyl laurate 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 Pentachlorophenyl laurate

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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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