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Product No: AU4011

(R)-(+)-TolBINAP, >98.0%(HPLC)

Name: (R)-(+)-TolBINAP
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

99646-28-3

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About this item

IUPAC name	[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane
canonical smiles	CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=C(C=C7)C)C8=CC=C(C=C8)C
inchi	InChI=1S/C48H40P2/c1-33-13-23-39(24-14-33)49(40-25-15-34(2)16-26-40)45-31-21-37-9-5-7-11-43(37)47(45)48-44-12-8-6-10-38(44)22-32-46(48)50(41-27-17-35(3)18-28-41)42-29-19-36(4)20-30-42/h5-32H,1-4H3
inchi key	IOPQYDKQISFMJI-UHFFFAOYSA-N
molecular formula	C48H40P2
synonyms	100165-88-6 99646-28-3 153305-67-0 2,2'-Bis(di-p-tolylphosphino)-1,1'-binaphthyl (S)-(-)-2,2'-Bis(di-p-tolylphosphino)-1,1'-binaphthyl

Computed Properties

Molecular Weight:	678.8 g/mol
XLogP3:	12.9
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	0
Rotatable Bond Count:	7
Exact Mass:	678.26052527 g/mol
Monoisotopic Mass:	678.26052527 g/mol
Topological Polar Surface Area:	0 Å²
Heavy Atom Count:	50
Formal Charge:	0
Complexity:	897
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

Rubrene

Phosphine, [[1,1'-biphenyl]-2,2'-diylbis(methylene)]bis[diphenyl-

1,2,3,4-Tetraphenylnaphthalene

Binapo

1,3,6,8-Tetraphenylpyrene

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

Tri-1-naphthylphosphine

9,10-Di-p-tolylanthracene

5-[4-(3,4-Dihydro-2H-pyrano[3,2-c]pyridin-5-yloxy)-2-methylphenyl]-4,6-dimethylpyridazin-3(2H)-one (14)

6,13-Diphenylpentacene

9,10-Di(1-naphthyl)anthracene

Dibenzo(m,pqr)naptho(1,2,3,4-tuv)picene

Dibenzo[a,rst]naphtho[8,1,2-cde]pentaphene

Tetrabenzo(de,hi,op,st)pentacene

2,2'-Bis(diphenylphosphino)biphenyl

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%) Flam. Sol. 2 (16.67%) Self-heat. 2 (16.67%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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About this item

Documentation

Certificate of Analysis

Lot Number

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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	[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane
canonical smiles	CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=C(C=C7)C)C8=CC=C(C=C8)C
inchi	InChI=1S/C48H40P2/c1-33-13-23-39(24-14-33)49(40-25-15-34(2)16-26-40)45-31-21-37-9-5-7-11-43(37)47(45)48-44-12-8-6-10-38(44)22-32-46(48)50(41-27-17-35(3)18-28-41)42-29-19-36(4)20-30-42/h5-32H,1-4H3
inchi key	IOPQYDKQISFMJI-UHFFFAOYSA-N
molecular formula	C48H40P2
synonyms	100165-88-6 99646-28-3 153305-67-0 2,2'-Bis(di-p-tolylphosphino)-1,1'-binaphthyl (S)-(-)-2,2'-Bis(di-p-tolylphosphino)-1,1'-binaphthyl

Computed Properties

Molecular Weight:	678.8 g/mol
XLogP3:	12.9
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	0
Rotatable Bond Count:	7
Exact Mass:	678.26052527 g/mol
Monoisotopic Mass:	678.26052527 g/mol
Topological Polar Surface Area:	0 Å²
Heavy Atom Count:	50
Formal Charge:	0
Complexity:	897
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

Rubrene

Phosphine, [[1,1'-biphenyl]-2,2'-diylbis(methylene)]bis[diphenyl-

1,2,3,4-Tetraphenylnaphthalene

Binapo

1,3,6,8-Tetraphenylpyrene

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

Tri-1-naphthylphosphine

9,10-Di-p-tolylanthracene

5-[4-(3,4-Dihydro-2H-pyrano[3,2-c]pyridin-5-yloxy)-2-methylphenyl]-4,6-dimethylpyridazin-3(2H)-one (14)

6,13-Diphenylpentacene

9,10-Di(1-naphthyl)anthracene

Dibenzo(m,pqr)naptho(1,2,3,4-tuv)picene

Dibenzo[a,rst]naphtho[8,1,2-cde]pentaphene

Tetrabenzo(de,hi,op,st)pentacene

2,2'-Bis(diphenylphosphino)biphenyl

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%) Flam. Sol. 2 (16.67%) Self-heat. 2 (16.67%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: AU4011

(R)-(+)-TolBINAP, >98.0%(HPLC)

Product No: AU4011

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: AU4011

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?