(3-Bromophenyl)diphenylphosphine Oxide
Basic information
- CAS
10212-04-1- Standard SMILES
O=P(c1ccccc1)(c1ccccc1)c1cccc(Br)c1- InChIKey
GZZLAPUQZCXKKT-UHFFFAOYSA-N- Molecular formula
- C18H14BrOP
- Average molar mass
- 357.2 g/mol
- Monoisotopic mass
- 355.99656
Names & identifiers
- Preferred name
- (3-Bromophenyl)diphenylphosphine Oxide
- IUPAC
- 1-bromo-3-diphenylphosphorylbenzene
- English name
- (3-bromophenyl)diphenylphosphine oxide
- Molecular formula
- C18H14BrOP
- Molecular weight
- 357.18
Names & synonyms
(3-Bromophenyl)diphenylphosphine oxide10212-04-1RefChem:400003813-412-8MFCD305339511-bromo-3-diphenylphosphorylbenzene(3-Bromophenyl)diphenylphosphineoxide(3-bromophenyl)-diphenylphosphine oxide1-bromo-3-(diphenylphosphoroso)benzenePhosphine oxide, (3-bromophenyl)diphenyl-SCHEMBL13454395SCHEMBL31371307
Show more names
Phosphine oxide, (3-?bromophenyl)?diphenyl-(3-Bromophenyl)diphenylphosphine oxide - [B89401]
1-bromo-3-diphenylphosphoryl-benzene(4-Bromophenyl)Diphenylphosphane OxideSY234374DB-160680B5530CS-0135861F618874
Database identifiers
- CAS
10212-04-1- PubChem CID
- 85529707
- EC Number
- 813-412-8
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- Melting point
- 93 to · 93.0 to 97.0 °C
- Boiling point
- 507.4 · 507.4±42.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- White to Almost white
- InChI
- InChI=1S/C18H14BrOP/c19-15-8-7-13-18(14-15)21(20,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H
- InChIKey
- GZZLAPUQZCXKKT-UHFFFAOYSA-N
- SMILES
- P(=O)(C1=CC=CC(Br)=C1)(C1=CC=CC=C1)C1=CC=CC=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P321-P332+P313-P337+P313-P362
- HS Code
- 2931.9 · 2931.90.6000
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
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
Safety data
- hs_code
- 2931.90.6000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P321-P332+P313-P337+P313-P362
Chemistry & industry
Applications
Uses(3-Bromophenyl)diphenylphosphine Oxide is a useful intermediate in the making of phosphorescent organic light-emitting diodes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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