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Product No: AW1319

2-Di-tert-butylphosphino-2',4',6'-triisopropylbiphenyl, >98.0%(T)(qNMR)

Name: 2-Di-tert-butylphosphino-2',4',6'-triisopropylbiphenyl
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

564483-19-8

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IUPAC name	ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
canonical smiles	CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC=CC=C2P(C(C)(C)C)C(C)(C)C)C(C)C
inchi	InChI=1S/C29H45P/c1-19(2)22-17-24(20(3)4)27(25(18-22)21(5)6)23-15-13-14-16-26(23)30(28(7,8)9)29(10,11)12/h13-21H,1-12H3
inchi key	SACNIGZYDTUHKB-UHFFFAOYSA-N
molecular formula	C29H45P
synonyms	564483-19-8 2-Di-tert-butylphosphino-2',4',6'-triisopropylbiphenyl Di-tert-butyl(2',4',6'-triisopropyl-[1,1'-biphenyl]-2-yl)phosphine tBuXPhos 2-DI-T-BUTYLPHOSPHINO-2',4',6'-TRI-I-PROPYL-1,1'-BIPHENYL

Computed Properties

Molecular Weight:	424.6 g/mol
XLogP3:	8.5
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	0
Rotatable Bond Count:	7
Exact Mass:	424.32588843 g/mol
Monoisotopic Mass:	424.32588843 g/mol
Topological Polar Surface Area:	0 Å²
Heavy Atom Count:	30
Formal Charge:	0
Complexity:	486
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

Benzene, 1,2-dimethyl-4-(1-phenylethyl)-

1,1-Bis(3,4-dimethylphenyl)ethane

Isorenieratene

Erogorgiaene

Renierapurpurin

(1-Phenylethyl)xylene

1,1'-Biphenyl, 2,2',5,5'-tetramethyl-

2-(p-Tolylmethyl)-p-xylene

2-(1-Phenylethyl)-p-xylene

4-(1-Phenylethyl)-m-xylene

2,4,6-Trimethylbiphenyl

3,3',4,4'-Tetramethylbiphenyl

3,4-Diethylbiphenyl

1,2-Di(2,4,6-trimethylphenyl)ethane

7-Butyl-1-hexyl-1,2,3,4-tetrahydronaphthalene

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (97.44%) Acute Tox. 4 (94.87%)
precautionary statement codes	P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501
hazard statements	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (94.87%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (94.87%): Harmful if inhaled [Warning Acute toxicity, inhalation]

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Certificate of Analysis

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*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	ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
canonical smiles	CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC=CC=C2P(C(C)(C)C)C(C)(C)C)C(C)C
inchi	InChI=1S/C29H45P/c1-19(2)22-17-24(20(3)4)27(25(18-22)21(5)6)23-15-13-14-16-26(23)30(28(7,8)9)29(10,11)12/h13-21H,1-12H3
inchi key	SACNIGZYDTUHKB-UHFFFAOYSA-N
molecular formula	C29H45P
synonyms	564483-19-8 2-Di-tert-butylphosphino-2',4',6'-triisopropylbiphenyl Di-tert-butyl(2',4',6'-triisopropyl-[1,1'-biphenyl]-2-yl)phosphine tBuXPhos 2-DI-T-BUTYLPHOSPHINO-2',4',6'-TRI-I-PROPYL-1,1'-BIPHENYL

Computed Properties

Molecular Weight:	424.6 g/mol
XLogP3:	8.5
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	0
Rotatable Bond Count:	7
Exact Mass:	424.32588843 g/mol
Monoisotopic Mass:	424.32588843 g/mol
Topological Polar Surface Area:	0 Å²
Heavy Atom Count:	30
Formal Charge:	0
Complexity:	486
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

Benzene, 1,2-dimethyl-4-(1-phenylethyl)-

1,1-Bis(3,4-dimethylphenyl)ethane

Isorenieratene

Erogorgiaene

Renierapurpurin

(1-Phenylethyl)xylene

1,1'-Biphenyl, 2,2',5,5'-tetramethyl-

2-(p-Tolylmethyl)-p-xylene

2-(1-Phenylethyl)-p-xylene

4-(1-Phenylethyl)-m-xylene

2,4,6-Trimethylbiphenyl

3,3',4,4'-Tetramethylbiphenyl

3,4-Diethylbiphenyl

1,2-Di(2,4,6-trimethylphenyl)ethane

7-Butyl-1-hexyl-1,2,3,4-tetrahydronaphthalene

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (97.44%) Acute Tox. 4 (94.87%)
precautionary statement codes	P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501
hazard statements	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (94.87%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (94.87%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Product No: AW1319

2-Di-tert-butylphosphino-2',4',6'-triisopropylbiphenyl, >98.0%(T)(qNMR)

Product No: AW1319

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: AW1319

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?