Basic information
- Standard SMILES
c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1- InChIKey
BCJVBDBJSMFBRW-UHFFFAOYSA-N- Molecular formula
- C28H28P2
- Average molar mass
- 426.5 g/mol
- Monoisotopic mass
- 426.16662416
Names & identifiers
- Preferred name
- 1,4-Bis(diphenylphosphino)butane
- IUPAC
- 4-diphenylphosphanylbutyl(diphenyl)phosphane
- English name
- 1,4-Bis(diphenylphosphino)butane
- Molecular formula
- C28H28P2
- Molecular weight
- 426.47
Names & synonyms
1,4-Bis(diphenylphosphino)butane7688-25-7Tetramethylenebis(diphenylphosphine)1,4-Bis[diphenylphosphino]butane1,4-BUTYLENEBIS(DIPHENYLPHOSPHINE)35HP6LTD2DButane-1,4-diylbis(diphenylphosphine)1,4-BUTANEDIYLBIS(DIPHENYLPHOSPHINE)1,4-BUTANEDIYLBIS[DIPHENYLPHOSPHINE]EINECS 231-698-7Phosphine, 1,1'-(1,4-butanediyl)bis(1,1-diphenyl-BUTANE-1,4-DIYLBIS[DIPHENYLPHOSPHINE]
Show more names
1,4-di(diphenylphosphino)-butane1,4-BIS(DIPHENYLPHOSPHINE)BUTANE1,4-Bis(diphenylphosphanyl)butane[4-(Diphenylphosphino)butyl](diphenyl)phosphine1,4-Bis(diphenylphosphino)butane, 98% 5GR1,4-B98% DPPB1,4-Bis(diphenylphos
Phosphine, 1,1'-(1,4-butanediyl)bis[1,1-diphenyl-RefChem:416454Butane1,4diylbis(diphenylphosphine)Phosphine, 1,1'(1,4butanediyl)bis(1,1diphenyldppbPhosphine, 1,4-butanediylbis[diphenyl-4-diphenylphosphanylbutyl(diphenyl)phosphaneC28H28P2
Database identifiers
- CAS
7688-25-7- PubChem CID
- 82124
- DTXSID
DTXSID4064769- ChEMBL
CHEMBL71648- UNII
- 35HP6LTD2D
- EC Number
- 231-698-7
- Nikkaji
- J133.188D
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 362
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Phosphorus Compounds
SpringerMaterials PropertiesFusion temperature
Physical DescriptionWhite powder; [MSDSonline]
Physicochemical properties
- Melting point
- 132 · 132-136 °C (lit.)
- Boiling point
- 542 · 542.0±33.0 °C(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- Crystalline Powder
- color
- White to almost white
- Water Solubility
- Soluble in chloroform. Slightly soluble in water
- BRN
- 706446 · 706446
- InChI
- InChI=1S/C28H28P2/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22H,13-14,23-24H2
- InChIKey
- BCJVBDBJSMFBRW-UHFFFAOYSA-N
- SMILES
- P(CCCCP(C1C=CC=CC=1)C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1
- CAS DataBase Reference
- 7688 · 7688-25-7(CAS DataBase Reference)
- FDA UNII
- 35 HP6LTD2D · 35HP6LTD2D
- NIST Chemistry Reference
- 1 · 1,4-Bis(diphenylphosphino)butane(7688-25-7)
- EPA Substance Registry System
- 1 · Phosphine, 1,4-butanediylbis[diphenyl- (7688-25-7)
- 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,F
- Risk Statements
- 36 · 36/38-36/37/38-11
- Safety Statements
- 26 · 26-36-37/39-33-16-7/9
- WGK Germany
- 3 · 3
- F
- 10 · 10-23
- TSCA
- TSCA listed
- HS Code
- 29319090 · 29319090
- 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 (20.3%): Harmful if swallowed [Warning Acute toxicity, oral]
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 69 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Phosphine, 1,4-butanediylbisdiphenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin, eye, and respiratory tract irritant; [MSDSonline]
Hazard Classes and CategoriesAcute Tox. 4 (20.3%)
Safety data
- F
- 10-23
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29319090
- risk_code
- 36/38-36/37/38-11
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,F
- safety_code
- 26-36-37/39-33-16-7/9
- 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'-(1,4-butanediyl)bis[1,1-diphenyl-: ACTIVE
Applications
Uses1,4-Bis(diphenylphosphino)butane is used in Suzuki reaction. It plays an essential role as a ligand in palladium(0)-catalyzed acylcyanation of arylacetylenes and deprotection of allyloxycarbamates. It acts as a ligand for alkylations, isomerization reactions and in organometallic chemistry. Further, it is used in Heck reaction, Negishi coupling and Sonogashira coupling. In addition to this, it is useful in organometallic chemistry.
Upstream & downstream products
Upstream raw materials
Downstream products
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