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Cas Database

Name	Tris(tribromoneopenthyl)phosphate	EINECS	N/A
CAS No.	19186-97-1	Density	2.324 g/cm³
PSA	0.00000	LogP	3.44350
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	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
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;	Article Data	3

Tris(tribromoneopenthyl)phosphate Synthetic route

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

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

Conditions

Conditions	Yield
With magnesium chloride; trichlorophosphate In 1,1,2,2-tetrachloroethylene	83%

: 115-77-5
Pentaerythritol

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

Conditions

Conditions	Yield
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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