HuagongsheHuagongshe Chemistry Print Report · For research reference only
Triphenylphosphine dibromide
DIBROMOTRIPHENYLPHOSPHORANE · Triphenyldibromophosphorane · SKL183 · phosphine dibromide · dibromo(triphenyl)- · dibromotriphenyl-phosphoran · DIBROMO TRIPHENYL PHOSPHINE · TRIPHENYLPHOSPHINE DIBROMIDE
Identifiers & Physical Properties
| CAS No. | 1034-39-5 |
|---|---|
| Molecular formula | C18H15Br2P |
| Average molar mass | 422.1 g/mol |
| Monoisotopic mass | 419.92781131 g/mol |
| SMILES | BrP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| InChIKey | OCXGTPDKNBIOTF-UHFFFAOYSA-N |
| PubChem CID | 70579 |
| EC No. | 213-855-1 |
| DTXSID | DTXSID3061423 |
Chemical & Physical Properties
| XLogP | 6.5 |
|---|---|
| Topological polar surface area | 0 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 0 |
| Rotatable bonds | 3 |
| Heavy atoms | 21 |
| Formal charge | 0 |
| Complexity | 285 |
| Melting point | 235 °C (dec.) (lit.) |
| Storage conditions | Inert atmosphere,Room Temperature |
| Physical state | Crystalline Powder |
| Color | Light yellow to light pink |
| 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. |
| Sensitivity | Moisture Sensitive |
| BRN | 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 | 1034-39-5(CAS DataBase Reference) |
| FDA UNII | 7Y0J6R63JD |
| EPA Substance Registry System | Phosphorane, dibromotriphenyl- (1034-39-5) |
| UNSPSC Code | 12352101 |
| NACRES | NA.22 |
| GHS pictogram | GHS05 |
| Signal word | Danger |
| GHS hazard statements | H314 |
| GHS precautionary statements | P260-P280-P301+P330+P331-P303+P361+P353-P305+P351+P338 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges |
| Hazard symbols | C |
| Risk statements (R) | 34 |
| Safety statements (S) | 26-36/37/39-45 |
| UN transport number | UN 3261 8/PG 2 |
| Water hazard class (WGK) | 3 |
| F | 3-10-21 |
| TSCA inventory status | TSCA listed |
| Hazard class | 8Skin Corr. 1B |
| Packing group | II |
| Customs code | 29319019 |
| Storage class | 8A - Combustible corrosive hazardous materials |
| Limited quantities | 1 Kg (2.2 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
Safety & Regulations
| GHS classification | DangerH314 (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. |
|---|---|
| Regulatory information | Phosphorane, dibromotriphenyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| F | 3-10-21 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| UN transport number | UN 3261 8/PG 2 |
| Customs code | 29319019 |
| Risk statements (R) | 34 |
| Signal word | Danger |
| GHS pictogram | GHS05 |
| Hazard symbols | C |
| Safety statements (S) | 26-36/37/39-45 |
| Hazard class | 8Skin Corr. 1B |
| Storage class | 8A - Combustible corrosive hazardous materials |
| Packing group | II |
| GHS hazard statements | H314 |
| Limited quantities | 1 Kg (2.2 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) |
| GHS precautionary statements | P260-P280-P301+P330+P331-P303+P361+P353-P305+P351+P338 |
Applications & Uses
Uses
Triphenylphosphine 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.