tert-Butyldiphenylphosphine
Basic information
- CAS
6002-34-2- Standard SMILES
CC(C)(C)P(c1ccccc1)c1ccccc1- InChIKey
QZUPHAGRBBOLTB-UHFFFAOYSA-N- Molecular formula
- C16H19P
- Average molar mass
- 242.29 g/mol
- Monoisotopic mass
- 242.1224376
Overview
NSC 244302 is a member of benzenes.
Names & identifiers
- Preferred name
- tert-Butyldiphenylphosphine
- IUPAC
- tert-butyl(diphenyl)phosphane
- English name
- tert-Butyldiphenylphosphine
- Molecular formula
- C16H19P
- Molecular weight
- 242.3
Names & synonyms
tert-Butyldiphenylphosphine6002-34-2NSC 244302DTXSID60208727EINECS 227-848-6RefChem:188239DTXCID10131218227-848-6tert-butyl(diphenyl)phosphaneDiphenyl(tert-butyl)phosphinetert-butyldiphenylphosphanePhosphine, (1,1-dimethylethyl)diphenyl-
Show more names
tert-Butyldiphenylphosphine 97%Phosphine,(1,1-dimethylethyl)diphenyl-TIANFU CHEM TERT-BUTYLDIPHENYLPHOSPHINE
MFCD00015004C16H19P(1,1-Dimethylethyl)diphenylphosphinePhosphine, tert-butyldiphenyl-t-butyldiphenylphosphinetert-butyl(diphenyl)phospUNII-LR9MN4MU3HLR9MN4MU3H
Database identifiers
- CAS
6002-34-2- PubChem CID
- 80102
- DTXSID
DTXSID60208727- ChEBI
CHEBI:188595- UNII
- LR9MN4MU3H
- EC Number
- 227-848-6
- Nikkaji
- J223.941H
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Melting point
- 52 · 52-55 °C(lit.)
- Boiling point
- 144 · 144-146 °C2 mm Hg(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Inert atmosphere,Room Temperature
- form
- crystal
- color
- white
- InChI
- InChI=1S/C16H19P/c1-16(2,3)17(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3
- InChIKey
- QZUPHAGRBBOLTB-UHFFFAOYSA-N
- SMILES
- P(C(C)(C)C)(C1=CC=CC=C1)C1=CC=CC=C1
- FDA UNII
- 9 MN4MU3H · LR9MN4MU3H
- UNSPSC Code
- 12352002 · 12352002
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Warning
- Hazard statements
- 301 · H301-H315-H319
- Precautionary statements
- 280 · P280-P301+P310-P305+P351+P338-P362-P405-P501A
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 3
- tsca
- No
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- safety_code
- 26-37
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H301-H315-H319
- Precautionary statements
- P280-P301+P310-P305+P351+P338-P362-P405-P501A
Chemistry & industry
Applications
UsesNew family of Ph2(t-Bu)P phosphines for efficient Silyl-Heck transformations.
UsesCatalyst for:Nickel/Lewis acid-catalyzed carbocyanation of alkynes with acetonitrile or substituted acetonitrilesPalladium catalyzed hydrocarboxylation of acetylene with carbon monoxide to acrylic acid under mild conditionsPalladium to form a catalyst for methoxycarbonylation reactionsRu-catalyzed transfer hydrogenation in reductive coupling of disubstituted allenes with aldehydesStereoselective silylation by dehydrogenative Si-O coupling with Si-stereogenic silanesPhosphine ligand in nickel-catalyzed carbocyanation of alkynesMonodentate P-Donor Ligands (LKB-P)
Additional notes
DefinitionChEBI: NSC 244302 is a member of benzenes.
Suppliers
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Related reactions
610 records
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HRID 1298090As catalystHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1298091As catalystHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1298092As catalystHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
HRID 1298093As catalystHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
Compound notes
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