tris(2,3-dibromopropyl) phosphate

• ChemBase ID: 111518
• Molecular Formular: C9H15Br6O4P
• Molecular Mass: 697.610761
• Monoisotopic Mass: 691.58081759
• SMILES: BrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr
• Canonical SMILES: BrCC(COP(=O)(OCC(CBr)Br)OCC(CBr)Br)Br
• InChI: InChI=1S/C9H15Br6O4P/c10-1-7(13)4-17-20(16,18-5-8(14)2-11)19-6-9(15)3-12/h7-9H,1-6H2
• InChIKey: PQYJRMFWJJONBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(2,3-dibromopropyl) phosphate
• IUPAC Traditional name: tris(2,3-dibromopropyl) phosphate
• Synonyms: TRIS-(2,3-DIBROMOPROPYL)PHOSPHATE; TDBPP; Tris(2,3-dibromopropyl) phosphate; TBPP; Fyrol HB 32; Tris; Tris(2,3-dibromopropyl) phosphate; Tris(2,3-dibromopropyl) phosphate; 三(2,3-二溴丙基)磷酸酯; 三(2,3-二溴丙基)磷酸酯

Database IDs

• CAS Number: 126-72-7
• EC Number: 204-799-9
• MDL Number: MFCD00039191
• PubChem SID: 162097245; 24861005
• PubChem CID: 31356
• Chemspider ID: 29089
• Wikipedia Title: Tris(2,3-dibromopropyl)_phosphate

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.39299
• LogD (pH = 7.4): 5.39299
• Log P: 5.39299
• Molar Refractivity: 101.0702 cm^3
• Polarizability: 41.158424 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Insoluble in water
• Flash Point: 110°C (230°F) >
• Density: 2.24 g/cm^3; 2.24 g/ml

Safety Information

• RTECS: UB0350000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 3082
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 45-22-38-51/53
• Safety Statements: 53-26-37-61
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H350-H400
• GHS Precautionary statements: P201-P273-P308 + P313
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3082 9/PG 3

Product Information

• Grade: analytical standard; PESTANAL®, analytical standard
• Packaging: ampule of 1000 mg
• Empirical Formula (Hill Notation): C9H15Br6O4P

DETAILS

MP Biomedicals - 05219625

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 34188

Legal Information
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