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Organometallic compounds

BrettPhos precatalyst

Also known as BrettPhos Pd G1, Brett Phos precatalyst, Chloro(2-(dicyclohexylphosphino)-3,6-dimethoxy-2',4',6'-triisopropyl-1,1'-biphenyl)(2-(2-aminoethyl)phenyl)palladium (II)

Formula C43H63ClNO2PPdMolar mass 798.83 g/molEC 689-533-3
GHS signal word: Warning. Pictograms: Harmful or irritant
Get quotes Safety data
BrettPhos precatalyst chemical structure, C43H63ClNO2PPd
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C43H63ClNO2PPd
Molar mass
798.83 g/mol
EC number
689-533-3
HS code
284390
Category
Organometallic compounds

What is BrettPhos precatalyst?

Plain description, key identifiers and synonyms

BrettPhos precatalyst is a chemical substance with the molecular formula C43H63ClNO2PPd and a molar mass of 798.83 g/mol. The IUPAC name is chloropalladium(1+), dicyclohexyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane, 2-phenylethanamine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
chloropalladium(1+), dicyclohexyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane, 2-phenylethanamine
EC number
689-533-3
Molecular formula
C43H63ClNO2PPd
MDL number
MFCD12545956
InChI
InChI=1S/C35H53O2P.C8H10N.ClH.Pd/c1-23(2)26-21-29(24(3)4)33(30(22-26)25(5)6)34-31(36-7)19-20-32(37-8)35(34)38(27-15-11-9-12-16-27)28-17-13-10-14-18-28;9-7-6-8-4-2-1-3-5-8;;/h19-25,27-28H,9-18H2,1-8H3;1-4H,6-7,9H2;1H;/q;-1;;+2/p-1
SMILES (canonical and isomeric)
CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C3CCCCC3)C4CCCCC4)OC)OC)C(C)C.C1=CC=C([C-]=C1)CCN.Cl[Pd+]

Synonyms

  • BrettPhos Pd G1
  • Brett Phos precatalyst
  • Chloro(2-(dicyclohexylphosphino)-3,6-dimethoxy-2',4',6'-triisopropyl-1,1'-biphenyl)(2-(2-aminoethyl)phenyl)palladium (II)
  • Chloro[2-(dicyclohexylphosphino)-2'',4'',6''-triisopropyl-3,6-dimethoxybiphenyl][2-(2-aminoethyl)phenyl]palladium(II)
  • Chloro[2-(dicyclohexylphosphino)-2',4',6'-triisopropyl-3,6-dimethoxybiphenyl][2-(2-aminoethyl)phenyl]palladium(II)
  • chloro[2-(dicyclohexylphosphino)-3,6-dimethoxy-2'-4'-6'-tri-i-propyl-1,1'-biphenyl][2-(2-aminoeth yl)phenyl]palladium(II)
  • Chloro[2-(dicyclohexylphosphino)-3,6-dimethoxy-2'-4'-6'-tri-i-propyl-1,1'-biphenyl][2-(2-aminoethyl)phenyl]palladium(II)

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
798.83 g/molcalc.
Exact mass
797.332 Dacalc.
LogP (octanol/water)
12.19calc.
Topological polar surface area
44.48 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
11calc.
Heavy atoms
49calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.58calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
3calc.
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, c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1

c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1

4 rings, 25 atoms, the 2-(Dicyclohexylphosphino)biphenyl ring system.

133 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (16)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it 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

BrettPhos precatalyst suppliers

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BrettPhos precatalyst 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 BrettPhos precatalyst is traded under.

HS 2843.90Indicative HS code

Amalgams

World exports in 2024
$5.76B
−33.2% vs 2023, imports $3.61B
2019 to 2024
Top exporters
  1. Germany36.9%
  2. Japan23.5%
  3. United States13.0%
Top importers
  1. India * partner reported23.1%
  2. Mexico11.6%
  3. Germany10.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about BrettPhos precatalyst, based on the data on this page

What is BrettPhos precatalyst?

BrettPhos precatalyst is a chemical substance with the molecular formula C43H63ClNO2PPd and a molar mass of 798.83 g/mol. The IUPAC name is chloropalladium(1+), dicyclohexyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane, 2-phenylethanamine.

What is the molecular formula and weight of BrettPhos precatalyst?

The molecular formula of BrettPhos precatalyst is C43H63ClNO2PPd and its molar mass is 798.83 g/mol.

Is BrettPhos precatalyst hazardous?

BrettPhos precatalyst carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of BrettPhos precatalyst?

BrettPhos precatalyst is usually classified under HS code 284390 (Colloidal precious metals, inorganic or organic compounds of precious metals, whether or…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy BrettPhos precatalyst?

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

What is the price of BrettPhos precatalyst?

Suppliers quote BrettPhos precatalyst 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 BrettPhos precatalyst

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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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