di-tert-butyl[5-(di-tert-butylphosphanyl)-9,9-dimethyl-9H-xanthen-4-yl]phosphane

HCID 16218202CAS 856405-77-1

Substructure search Find similar structures

Basic information

Standard SMILES: CC1(C)c2cccc(P(C(C)(C)C)C(C)(C)C)c2Oc2c(P(C(C)(C)C)C(C)(C)C)cccc21
InChIKey: ZEIZANJFJXHMNS-UHFFFAOYSA-N
Molecular formula: C31H48OP2
Average molar mass: 498.7 g/mol
Monoisotopic mass: 498.31803942

Names & identifiers

Preferred name: di-tert-butyl[5-(di-tert-butylphosphanyl)-9,9-dimethyl-9H-xanthen-4-yl]phosphane
IUPAC: ditert-butyl-(5-ditert-butylphosphanyl-9,9-dimethylxanthen-4-yl)phosphane
English name: 9,9-DIMETHYL-4,5-BIS(DI-T-BUTYLPHOSPHINO)XANTHENE, MIN. 97% T-BU-XANTPHOS
Molecular formula: C31H48OP2
Molecular weight: 498.67

Names & synonyms

DI-TERT-BUTYL[5-(DI-TERT-BUTYLPHOSPHANYL)-9,9-DIMETHYL-9H-XANTHEN-4-YL]PHOSPHANEdi-tert-butyl(5-(di-tert-butylphosphanyl)-9,9-dimethyl-9H-xanthen-4-yl)phosphaneRefChem:586120894-633-7856405-77-1(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(di-tert-butylphosphine)9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthenet-Bu-XantphosMFCD07781995ditert-butyl-(5-ditert-butylphosphanyl-9,9-dimethylxanthen-4-yl)phosphane9,9-DIMETHYL-4,5-BIS(DI-T-BUTYLPHOSPHINO)XANTHENEC31H48OP2

Show more names

97% t-Bu-XANTPHOSphosphino)xanthene-4,5-bis(di-t-butyLphosphino)xanthene t-Bu-XANTPHOS9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthene 97%4,5-Bis[di(tert-butyl)phosphino]-9,9-dimethyl-9H-xanthene9,9-Dimethyl-4,5-bis(di-t-butylphosphino)xanthene,min.97%9,9-Dimethyl-4,5-bis(di -tert-butylphosphino) -9H-xanthene9,9-Dimethyl-4,5-bis(di-t-butylphosphino)xanthene, min. 97%

CS-W009619EN300-7358813Phosphine, 1,1'-(9,9-dimethyl-9H-xanthene-4,5-diyl)bis[1,1-bis(1,1-dimethylethyl)-9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthene, 97%(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(di-tert-butylphosphane)t-Butyl-Xantphos9,9-DiMethyl-4,5-bis(SCHEMBL1315091

Database identifiers

CAS: 856405-77-1
PubChem CID: 16218202
DTXSID: DTXSID50584820
EC Number: 894-633-7
Nikkaji: J2.474.012I

Properties

Computed structural properties

XLogP: 7.4
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 6
Heavy atoms: 34
Formal charge: 0
Complexity: 613

Physicochemical properties

Melting point: 153 · 153-157℃
Boiling point: 563.1 · 563.1±50.0 °C(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: Powder
color: white to light yellow
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
InChIKey: ZEIZANJFJXHMNS-UHFFFAOYSA-N
SMILES: CC(C)(C)P(c1cccc2c1Oc3c(cccc3C2(C)C)P(C(C)(C)C)C(C)(C)C)C(C)(C)C
CAS DataBase Reference: 856405 · 856405-77-1
UNSPSC Code: 12352005 · 12352005
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338-P304+P340-P405-P501A
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37
WGK Germany: 3 · 3
TSCA: No
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.