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Product No: DU6907

2-(Dicyclohexylphosphino)-3,6-dimethoxy-2',4',6'-tri-i-propyl-1, 1'-biphenyl, min. 98% BrettPhos

Name: 2-(Dicyclohexylphosphino)-3,6-dimethoxy-2',4',6'-tri-i-propyl-1, 1'-biphenyl, min. 98% BrettPhos
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

1070663-78-3

Molecular Weight

536.77

Formula

C35H53O2P

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About this item

IUPAC name	dicyclohexyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
canonical smiles	CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C3CCCCC3)C4CCCCC4)OC)OC)C(C)C
inchi	InChI=1S/C35H53O2P/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/h19-25,27-28H,9-18H2,1-8H3
inchi key	WDVGNXKCFBOKDF-UHFFFAOYSA-N
molecular formula	C35H53O2P
synonyms	BrettPhos 1070663-78-3 Dicyclohexyl(2',4',6'-triisopropyl-3,6-dimethoxy-[1,1'-biphenyl]-2-yl)phosphine Brettphos phosphine ligand Brettphos phosphine ligand [MI]

Computed Properties

Molecular Weight:	536.8 g/mol
XLogP3:	10.1
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	9
Exact Mass:	536.37831793 g/mol
Monoisotopic Mass:	536.37831793 g/mol
Topological Polar Surface Area:	18.5 Å²
Heavy Atom Count:	38
Formal Charge:	0
Complexity:	643
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

X-Phos

BrettPhos

BrettPhos Palladacycle

Di-tert-butyl(2',4',6'-triisopropyl-3,6-dimethoxy-[1,1'-biphenyl]-2-yl)phosphine

Bis(3,5-bis(trifluoromethyl)phenyl)(2',4',6'-triisopropyl-3,6-dimethoxy-[1,1'-biphenyl]-2-yl)phosphine

Chloro(2-{bis[3,5-bis(trifluoromethyl)phenyl]phosphino}-3,6-dimethoxy-2',4',6'-triisopropyl-1,1'-biphenyl)gold(I)

Isoplagiochin D Tetramethyl Ether

2-(Dicyclohexylphosphino)-2'-isopropylbiphenyl

1,4-Bis(2,5-dimethoxy-4-methylphenyl)-2,3,5,6-tetramethylbenzene

(E,E)-[5-(4-methoxy-2,3,6-trimethylphenyl)-3-methyl-2,4-pentadienyl]triphenylphosphonium chloride

2,4,6-Triisopropyl-2',5'-dimethoxybiphenyl

Dicyclohexyl-[2-(6-fluoro-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylphenyl]phosphane

Bis[3,5-bis(trifluoromethyl)phenyl]-[3,6-dimethoxy-2-[4-methyl-2,6-bis(2-methylpropyl)phenyl]phenyl]phosphane

[2-[3,5-Bis(trifluoromethyl)phenyl]-3,6-dimethoxyphenyl]-dicyclohexylphosphane

Ditert-butyl-[2-[3-(4-butylphenyl)-2,4,6-tri(propan-2-yl)phenyl]-6-methoxy-3-methylphenyl]phosphane

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (28.57%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (85.71%) Aquatic Chronic 3 (28.57%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (28.57%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (85.71%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H412 (28.57%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

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About this item

Documentation

Certificate of Analysis

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	dicyclohexyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
canonical smiles	CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C3CCCCC3)C4CCCCC4)OC)OC)C(C)C
inchi	InChI=1S/C35H53O2P/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/h19-25,27-28H,9-18H2,1-8H3
inchi key	WDVGNXKCFBOKDF-UHFFFAOYSA-N
molecular formula	C35H53O2P
synonyms	BrettPhos 1070663-78-3 Dicyclohexyl(2',4',6'-triisopropyl-3,6-dimethoxy-[1,1'-biphenyl]-2-yl)phosphine Brettphos phosphine ligand Brettphos phosphine ligand [MI]

Computed Properties

Molecular Weight:	536.8 g/mol
XLogP3:	10.1
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	9
Exact Mass:	536.37831793 g/mol
Monoisotopic Mass:	536.37831793 g/mol
Topological Polar Surface Area:	18.5 Å²
Heavy Atom Count:	38
Formal Charge:	0
Complexity:	643
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

X-Phos

BrettPhos

BrettPhos Palladacycle

Di-tert-butyl(2',4',6'-triisopropyl-3,6-dimethoxy-[1,1'-biphenyl]-2-yl)phosphine

Bis(3,5-bis(trifluoromethyl)phenyl)(2',4',6'-triisopropyl-3,6-dimethoxy-[1,1'-biphenyl]-2-yl)phosphine

Chloro(2-{bis[3,5-bis(trifluoromethyl)phenyl]phosphino}-3,6-dimethoxy-2',4',6'-triisopropyl-1,1'-biphenyl)gold(I)

Isoplagiochin D Tetramethyl Ether

2-(Dicyclohexylphosphino)-2'-isopropylbiphenyl

1,4-Bis(2,5-dimethoxy-4-methylphenyl)-2,3,5,6-tetramethylbenzene

(E,E)-[5-(4-methoxy-2,3,6-trimethylphenyl)-3-methyl-2,4-pentadienyl]triphenylphosphonium chloride

2,4,6-Triisopropyl-2',5'-dimethoxybiphenyl

Dicyclohexyl-[2-(6-fluoro-3-methoxy-2,4-dimethylphenyl)-4-methoxy-3,5-dimethylphenyl]phosphane

Bis[3,5-bis(trifluoromethyl)phenyl]-[3,6-dimethoxy-2-[4-methyl-2,6-bis(2-methylpropyl)phenyl]phenyl]phosphane

[2-[3,5-Bis(trifluoromethyl)phenyl]-3,6-dimethoxyphenyl]-dicyclohexylphosphane

Ditert-butyl-[2-[3-(4-butylphenyl)-2,4,6-tri(propan-2-yl)phenyl]-6-methoxy-3-methylphenyl]phosphane

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (28.57%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (85.71%) Aquatic Chronic 3 (28.57%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (28.57%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (85.71%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H412 (28.57%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Product No: DU6907

2-(Dicyclohexylphosphino)-3,6-dimethoxy-2',4',6'-tri-i-propyl-1, 1'-biphenyl, min. 98% BrettPhos

Product No: DU6907

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: DU6907

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?