9,9-Dimethyl-4,5-bis(di-t-butylphosphino)xanthene, 98%

Name: 9,9-Dimethyl-4,5-bis(di-t-butylphosphino)xanthene
Brand: Chempure

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CAS Number

856405-77-1

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About this item

IUPAC name	ditert-butyl-(5-ditert-butylphosphanyl-9,9-dimethylxanthen-4-yl)phosphane
inchi	InChI=1S/C31H48OP2/c1-27(2,3)33(28(4,5)6)23-19-15-17-21-25(23)32-26-22(31(21,13)14)18-16-20-24(26)34(29(7,8)9)30(10,11)12/h15-20H,1-14H3
inchi key	ZEIZANJFJXHMNS-UHFFFAOYSA-N
molecular formula	C31H48OP2
synonyms	856405-77-1 t-Bu-Xantphos 9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthene (9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(di-tert-butylphosphine) ditert-butyl-(5-ditert-butylphosphanyl-9,9-dimethylxanthen-4-yl)phosphane

Computed Properties

Molecular Weight:	498.7 g/mol
XLogP3:	7.4
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	6
Exact Mass:	498.31804015 g/mol
Monoisotopic Mass:	498.31804015 g/mol
Topological Polar Surface Area:	9.2 Å²
Heavy Atom Count:	34
Formal Charge:	0
Complexity:	613
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

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2A (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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*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!

Product No: CP3891

9,9-Dimethyl-4,5-bis(di-t-butylphosphino)xanthene, 98%

Product No: CP3891

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Product No: CP3891

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NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?