phosphoroyl tribromide

• ChemBase ID: 149614
• Molecular Formular: Br3OP
• Molecular Mass: 286.685161
• Monoisotopic Mass: 283.72368725
• SMILES: O=P(Br)(Br)Br
• Canonical SMILES: BrP(=O)(Br)Br
• InChI: InChI=1S/Br3OP/c1-5(2,3)4
• InChIKey: UXCDUFKZSUBXGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phosphoroyl tribromide
• IUPAC Traditional name: phosphoroyl tribromide
• Synonyms: Phosphorus(V) oxybromide; Phosphorus oxide bromide; Phosphoryl bromide; Phosphorus(V) tribromide oxide; 氧溴化磷; 三溴氧磷; 溴氧化磷; 三溴氧化磷(V)

Database IDs

• CAS Number: 7789-59-5
• EC Number: 232-177-7
• MDL Number: MFCD00036298
• Merck Index: 147348
• PubChem SID: 24863480; 24845873; 162243777
• PubChem CID: 24613

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7262435
• LogD (pH = 7.4): 1.7262435
• Log P: 1.7262435
• Molar Refractivity: 33.1637 cm^3
• Polarizability: 13.839869 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Decomposes in water. Soluble in ether, benzene, and sulfuric acid
• Apperance: Lump
• Melting Point: 56 °C(lit.); 56°C
• Boiling Point: 189°C; 192 °C(lit.)
• Density: 2.82 g/mL at 25 °C(lit.); 2.822

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 1939; UN1939
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 14-34
• Safety Statements: 26-36/37/39-45-Neverusewater.; 8-20-26-30-36/37/39-45-60
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1939 8/PG 2
• Supplemental Hazard Statements: Reacts violently with water.
• Storage Temperature: 2-8°C

Product Information

• Purity: >95%; ≥98.5% (AT); 98% min
• Grade: puriss.
• Linear Formula: POBr3

DETAILS

Sigma Aldrich - 376949

Packaging
25 g in glass bottle