Basic information
- Standard SMILES
CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1- InChIKey
UGOMMVLRQDMAQQ-UHFFFAOYSA-N- Molecular formula
- C33H49P
- Average molar mass
- 476.7 g/mol
- Monoisotopic mass
- 476.35718856
Names & identifiers
- Preferred name
- 2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl
- IUPAC
- dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
- English name
- X-PHOS
- Molecular formula
- C33H49P
- Molecular weight
- 476.72
Names & synonyms
Show more names
Database identifiers
- CAS
564483-18-7- PubChem CID
- 11155794
- DTXSID
DTXSID50457126- UNII
- R271FU23T8
- EC Number
- 611-387-6
- Nikkaji
- J1.911.682D、J3.650.095F
Properties
Computed structural properties
- XLogP
- 10.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 545
Physicochemical properties
- Melting point
- 187 · 187-190 °C(lit.)
- Boiling point
- 569.8 · 569.8±50.0 °C(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Benzene (Slightly)
- form
- Powder
- color
- white
- Sensitive
- Air Sensitive
- Stability
- Air Sensitive
- InChI
- 1S/C33H49P/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3
- InChIKey
- UGOMMVLRQDMAQQ-UHFFFAOYSA-N
- SMILES
- P(C1CCCCC1)(C1CCCCC1)C1=CC=CC=C1C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C
- CAS DataBase Reference
- 564483 · 564483-18-7(CAS DataBase Reference)
- FDA UNII
- 271 FU23T8 · R271FU23T8
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 82 · NA.82
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Warning
- Hazard statements
- 351 · H351
- Precautionary statements
- 280 · P280
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xn
- Risk Statements
- 36 · 36/37/38-22-40
- Safety Statements
- 37 · 37/39-26-36/37
- WGK Germany
- 3 · 3
- TSCA
- No
- HS Code
- 29319090 · 29319090
- Storage Class
- 13 · 13 - Non Combustible Solids
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 35.2% (38 of 108) of reports.
Warning
H302+H312+H332 (21.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation];H302 (26.9%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (21.3%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (59.3%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (59.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (21.3%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (58.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H413 (25.9%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 108 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 38 of 108 reports by companies.;There are 13 notifications provided by 70 of 108 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- No
- hs_code
- 29319090
- risk_code
- 36/37/38-22-40
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- hazard_code
- Xn
- safety_code
- 37/39-26-36/37
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H351
- Precautionary statements
- P280
Chemistry & industry
Applications
Usessuzuki reaction
UsesExceptional ligands for Pd-catalyzed amination and amidation of aryl sulfonates. XPHOS is used as a regent in the synthesis of novel [1,2,4]triazolo[4,3-a]pyrazine derivatives as potential selective c-met inhibitors with improved pharmacokinetic properties.
General DescriptionThis product has been enhanced for catalytic efficiency.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Related reactions
Linked notes
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