Triphenylphosphine dibromide
Basic information
- CAS
1034-39-5- Standard SMILES
BrP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
OCXGTPDKNBIOTF-UHFFFAOYSA-N- Molecular formula
- C18H15Br2P
- Average molar mass
- 422.1 g/mol
- Monoisotopic mass
- 419.92781131
Names & identifiers
- Preferred name
- Triphenylphosphine dibromide
- IUPAC
- dibromo(triphenyl)-λ5-phosphane
- English name
- Triphenylphosphine dibromide
- Molecular formula
- C18H15Br2P
- Molecular weight
- 422.09
Names & synonyms
Triphenylphosphine dibromide1034-39-5DibromotriphenylphosphoraneTriphenyldibromophosphoranePhosphorane, dibromotriphenyl-Triphenylphosphonium dibromide7Y0J6R63JDEINECS 213-855-1NSC 87871NSC-87871DTXSID3061423TRIPHENYLPHOSPHINE DIBROMIDE [MI]
Show more names
SKL183phosphine dibromidedibromo(triphenyl)-DIBROMO TRIPHENYL PHOSPHINEdibromotriphenyl-phosphoranTriphenylphosphane dibromide
RefChem:900015DTXCID6032803213-855-1dibromo(triphenyl)-lambda5-phosphaneMFCD00000054C18H15Br2PUNII-7Y0J6R63JDBromotriphenylphosphonium bromide
Database identifiers
- CAS
1034-39-5- PubChem CID
- 70579
- DTXSID
DTXSID3061423- UNII
- 7Y0J6R63JD
- EC Number
- 213-855-1
- Nikkaji
- J80.055D
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Melting point
- 235 °C · 235 °C (dec.) (lit.)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- Crystalline Powder
- color
- Light yellow to light pink
- Water Solubility
- Soluble in water, dichloromethane, acetonitrile, phenyl cyanide, dimethyl formamide, ether, chloroform, alcohol, carbon tetrachloride, acetic acid and carbon disulfide. Sparingly soluble in phenyl chloride, triphenylphosphine and phenyl hydride. Insoluble in aqueous bromine.
- Sensitive
- Moisture Sensitive
- BRN
- 917652 · 917652
- InChI
- InChI=1S/C18H15Br2P/c19-21(20,16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
- InChIKey
- OCXGTPDKNBIOTF-UHFFFAOYSA-N
- SMILES
- P(Br)(Br)(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
- CAS DataBase Reference
- 1034 · 1034-39-5(CAS DataBase Reference)
- FDA UNII
- 7 Y0J6R63JD · 7Y0J6R63JD
- EPA Substance Registry System
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 Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationPhosphorane, dibromotriphenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- F
- 3-10-21
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3261 8/PG 2
- hs_code
- 2931900090
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhosphorane, dibromotriphenyl-: ACTIVE
Applications
UsesTriphenylphosphine dibromide is used as a reagent for conversion of aldoximes into nitriles. It acts as a reagent for cleavage of acetals. It reacts with amines to give iminophosphoranes. Further, it serves as a reagent in the preparation of alkyl and aryl bromides from alcohols and phenols without rearrangement.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
102 records
Compound notes
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