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Product No: AU4020

(S)-(-)-XylBINAP, >97.0%(HPLC)

Name: (S)-(-)-XylBINAP
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

135139-00-3

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About this item

IUPAC name	[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane
canonical smiles	CC1=CC(=CC(=C1)P(C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C
inchi	InChI=1S/C52H48P2/c1-33-21-34(2)26-43(25-33)53(44-27-35(3)22-36(4)28-44)49-19-17-41-13-9-11-15-47(41)51(49)52-48-16-12-10-14-42(48)18-20-50(52)54(45-29-37(5)23-38(6)30-45)46-31-39(7)24-40(8)32-46/h9-32H,1-8H3
inchi key	MXGXXBYVDMVJAO-UHFFFAOYSA-N
molecular formula	C52H48P2
synonyms	135139-00-3 137219-86-4 (R)-DM-BINAP 145416-77-9 (S)-DM-BINAP

Computed Properties

Molecular Weight:	734.9 g/mol
XLogP3:	14.3
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	0
Rotatable Bond Count:	7
Exact Mass:	734.32312553 g/mol
Monoisotopic Mass:	734.32312553 g/mol
Topological Polar Surface Area:	0 Å²
Heavy Atom Count:	54
Formal Charge:	0
Complexity:	999
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

1,2,3,4-Tetraphenylnaphthalene

Tri-1-naphthylphosphine

1,3,6,8-Tetraphenylpyrene

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

Binapo

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

6,13-Diphenylpentacene

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

9,10-Di-p-tolylanthracene

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

[1-(2-Diphenylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane

[1-[2-Bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane

2,2'-Bis(di-p-tolylphosphino)-1,1'-binaphthyl

1,8-Bis(diphenylphosphino)naphthalene

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)
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(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane
canonical smiles	CC1=CC(=CC(=C1)P(C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C
inchi	InChI=1S/C52H48P2/c1-33-21-34(2)26-43(25-33)53(44-27-35(3)22-36(4)28-44)49-19-17-41-13-9-11-15-47(41)51(49)52-48-16-12-10-14-42(48)18-20-50(52)54(45-29-37(5)23-38(6)30-45)46-31-39(7)24-40(8)32-46/h9-32H,1-8H3
inchi key	MXGXXBYVDMVJAO-UHFFFAOYSA-N
molecular formula	C52H48P2
synonyms	135139-00-3 137219-86-4 (R)-DM-BINAP 145416-77-9 (S)-DM-BINAP

Computed Properties

Molecular Weight:	734.9 g/mol
XLogP3:	14.3
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	0
Rotatable Bond Count:	7
Exact Mass:	734.32312553 g/mol
Monoisotopic Mass:	734.32312553 g/mol
Topological Polar Surface Area:	0 Å²
Heavy Atom Count:	54
Formal Charge:	0
Complexity:	999
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

1,2,3,4-Tetraphenylnaphthalene

Tri-1-naphthylphosphine

1,3,6,8-Tetraphenylpyrene

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

Binapo

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

6,13-Diphenylpentacene

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

9,10-Di-p-tolylanthracene

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

[1-(2-Diphenylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane

[1-[2-Bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane

2,2'-Bis(di-p-tolylphosphino)-1,1'-binaphthyl

1,8-Bis(diphenylphosphino)naphthalene

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)
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: AU4020

(S)-(-)-XylBINAP, >97.0%(HPLC)

Product No: AU4020

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: AU4020

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?