Basic information
- Standard SMILES
c1ccc(P(CCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1- InChIKey
LVEYOSJUKRVCCF-UHFFFAOYSA-N- Molecular formula
- C27H26P2
- Average molar mass
- 412.4 g/mol
- Monoisotopic mass
- 412.15097482
Names & identifiers
- Preferred name
- 1,3-Bis(diphenylphosphino)propane
- IUPAC
- 3-diphenylphosphanylpropyl(diphenyl)phosphane
- English name
- 1,3-Bis(diphenylphosphino)propane
- Molecular formula
- C27H26P2
- Molecular weight
- 412.45
Names & synonyms
1,3-Bis(diphenylphosphino)propane6737-42-4Phosphine, 1,3-propanediylbis[diphenyl-DPPP cpdPhosphine, 1,3-propanediylbis(diphenyl-44R56E2C68NSC-193753DTXSID0064464RefChem:72524DTXCID30448871,3-B(DPP)PPhosphine, 1,1'-(1,3-propanediyl)bis(1,1-diphenyl)-
Show more names
1,3-BIS(DIPHENYLPHOSPHINE)PROPANE1,3-Bis(diphenylphosphanyl)propane1,3-bis(diphenyphosphino)propaneBis(1,3-diphenylphosphino)propane98% DPPP1,3-Bis(diphenyLphosphino)propanePH2PCH2 CH2CH2PPH21,3-BIS(DIPHENYPHOSPHINO)
229-791-2DPPP3-diphenylphosphanylpropyl(diphenyl)phosphaneMFCD00003050Trimethylenebis(diphenylphosphine)[3-(diphenylphosphanyl)propyl]diphenylphosphanePropane-1,3-diylbis(diphenylphosphine)1,3-Propanediylbis(diphenylphosphine)
Database identifiers
- CAS
6737-42-4- PubChem CID
- 81219
- DTXSID
DTXSID0064464- ChEMBL
CHEMBL73394- UNII
- 44R56E2C68
- EC Number
- 229-791-2
- Nikkaji
- J208.099K
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Melting point
- 63 · 63-65 °C (lit.)
- Boiling point
- 529.7 · 529.7±33.0 °C(Predicted)
- Flash point
- 235 °C · 235°C
- storage temp.
- Inert atmosphere,Room Temperature
- form
- Granules or Powder
- color
- White to light yellow-beige
- Water Solubility
- insoluble
- Sensitive
- Air Sensitive
- BRN
- 2821785 · 2821785
- InChI
- InChI=1S/C27H26P2/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27/h1-12,14-21H,13,22-23H2
- InChIKey
- LVEYOSJUKRVCCF-UHFFFAOYSA-N
- SMILES
- P(C1C=CC=CC=1)(C1C=CC=CC=1)CCCP(C1C=CC=CC=1)C1C=CC=CC=1
- CAS DataBase Reference
- 6737 · 6737-42-4(CAS DataBase Reference)
- FDA UNII
- 44 R56E2C68 · 44R56E2C68
- NIST Chemistry Reference
- 1 · 1,3-Bis(diphenylphosphino)propane(6737-42-4)
- EPA Substance Registry System
- 1 · Phosphine, 1,3-propanediylbis[diphenyl- (6737-42-4)
- UNSPSC Code
- 12352002 · 12352002
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39-36
- WGK Germany
- 3 · 3
- F
- 10 · 10-23
- TSCA
- TSCA listed
- HS Code
- 29310095 · 29310095
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (64.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (64.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (99.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (64.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (65.4%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 153 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesAcute Tox. 4 (64.7%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (64.7%)；Eye Irrit. 2 (100%)；STOT SE 3 (99.3%)；Aquatic Acute 1 (64.7%)；Aquatic Chronic 1 (65.4%)
Regulatory information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Safety data
- F
- 10-23
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29310095
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhosphine, 1,1'-(1,3-propanediyl)bis[1,1-diphenyl-: ACTIVE
Applications
Description1,3-Bis(diphenylphosphino)propane is a ligand for metal-catalyzed substitution reactions of aryl and vinyl triflates, halides, and carbonates; carbonylation reactions; Grignard coupling; diene alkylation; macrocycle synthesis.
Uses1,3-Bis(diphenylphosphino)propane is used as a bidentate ligand in coordination chemistry and form complex dichloro(1,3-bis(diphenylphosphino)propane)nickel by reacting with nickel(II) chloride. This complex is used as a catalyst for Kumada coupling reaction. It also acts as a ligand for palladium(II) catalysts which is useful for the co-polymerization of carbon monoxide and ethylene to get polyketones. Further, it is employed in palladium-catalyzed arylation under Heck reaction and Suzuki reaction. In addition to this, it serves as a catalyst for Negishi coupling and Sonogashira coupling reactions.
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