Product Name

  • Name

    Tris(tribromoneopenthyl)phosphate

  • EINECS
  • CAS No. 19186-97-1
  • Article Data3
  • CAS DataBase
  • Density 2.324 g/cm3
  • Solubility 15.6μg/L at 20℃
  • Melting Point ≥181ºC
  • Formula C15Br9H24PO4
  • Boiling Point 719.315 °C at 760 mmHg
  • Molecular Weight 1018.46
  • Flash Point 388.828 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 19186-97-1 (Tris(tribromoneopenthyl)phosphate)
  • Hazard Symbols
  • Synonyms 1-Propanol,3-bromo-2,2-bis(bromomethyl)-, phosphate (3:1) (8CI,9CI);CR 900;FR 370;FR372;Flame Cut 175;Flame Cut 175R;Kronitex PB 370;PB 370;Reoflam FR 370;TPB 3070;Tris[2,2-bis(bromomethyl)-3-bromopropyl] phosphate;Tris[3-bromo-2,2-bis(bromomethyl)propyl] phosphate;2,2-Bis-(bromomethyl)-3-bromo-1-propanol phosphate;
  • PSA 0.00000
  • LogP 3.44350

Synthetic route

2,2-bis(bromomethyl)-3-bromo-propan-1-ol
1522-92-5

2,2-bis(bromomethyl)-3-bromo-propan-1-ol

tris[3-bromo-2,2-bis(bromomethyl)propyl] phosphate
19186-97-1

tris[3-bromo-2,2-bis(bromomethyl)propyl] phosphate

Conditions
ConditionsYield
With magnesium chloride; trichlorophosphate In 1,1,2,2-tetrachloroethylene83%
Pentaerythritol
115-77-5

Pentaerythritol

tris[3-bromo-2,2-bis(bromomethyl)propyl] phosphate
19186-97-1

tris[3-bromo-2,2-bis(bromomethyl)propyl] phosphate

Conditions
ConditionsYield
Stage #1: Pentaerythritol With bromine; acetic anhydride; urea at 60 - 80℃;
Stage #2: With aluminum (III) chloride; titanium tetrachloride; tin(IV) chloride; trichlorophosphate at 25 - 40℃;

Tris(tribromoneopenthyl)phosphate Specification

The Tris(tribromoneopenthyl)phosphate, with the CAS registry number 19186-97-1, is also known as 2,2-Bis-(bromomethyl)-3-bromo-1-propanol phosphate. This chemical's molecular formula is C15Br9H24PO4 and molecular weight is 1018.46. What's more, its systematic name is Tris[3-bromo-2,2-bis(bromomethyl)propyl] phosphate. This chemical is used as flame retardant.

Physical properties of Tris(tribromoneopenthyl)phosphate are: (1)ACD/LogP: 9.029; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 9.03; (4)ACD/LogD (pH 7.4): 9.03; (5)ACD/BCF (pH 5.5): 1000000.00; (6)ACD/BCF (pH 7.4): 1000000.00; (7)ACD/KOC (pH 5.5): 1945463.00; (8)ACD/KOC (pH 7.4): 1945463.00; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 54.57 Å2; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 153.135 cm3; (15)Molar Volume: 438.15 cm3; (16)Polarizability: 60.708×10-24cm3; (17)Surface Tension: 59.04 dyne/cm; (18)Density: 2.324 g/cm3; (19)Flash Point: 388.828 °C; (20)Enthalpy of Vaporization: 101.357 kJ/mol; (21)Boiling Point: 719.315 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCC(COP(=O)(OCC(CBr)(CBr)CBr)OCC(CBr)(CBr)CBr)(CBr)CBr
(2)Std. InChI: InChI=1S/C15H24Br9O4P/c16-1-13(2-17,3-18)10-26-29(25,27-11-14(4-19,5-20)6-21)28-12-15(7-22,8-23)9-24/h1-12H2
(3)Std. InChIKey: BHYQWBKCXBXPKM-UHFFFAOYSA-N 

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