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126-72-7

126-72-7 structural image
Product Name: Tris(2,3-dibromopropyl)phosphate
Formula: C9H15Br6O4P
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Tris(2,3-dibromopropyl) phosphate is a clear colorless to pale yellow viscous liquid. (NTP, 1992)
Color/Form Viscous, pale yellow liquid
Melting Point FP: 5.5 °C
Flash Point greater than 234 °F (NTP, 1992)
Solubility less than 1 mg/mL at 68 °F (NTP, 1992)
Density 2.27 at 77 °F (NTP, 1992) - Denser than water; will sink
Vapor Pressure 0.00019 mmHg at 77 °F (NTP, 1992)
LogP log Kow = 4.29
Stability/Shelf Life Major decomp begins at 308 °C; stable in sunlight.
Decomposition When heated to decomposition it emits very toxic fumes of /bromides/ and /phosphorus oxides/.
Viscosity High purity grade: 3900-4200 centistokes at 25 °C; low purity grade: 1400-1700 centistokes at 25 °C
pH High-purity & low-purity grades: acid number (mg KOH/g)= 0.05 maximum
Refractive Index Index of refraction: 1.5772 @ 20 °C/D
Collision Cross Section 197.25 Ų [M+H]+ 206.37 Ų [M+Na]+ 206.9 Ų [M+Na]+
Kovats Retention Index 2918.9
Other Experimental Properties Hydrolyzed by acids and bases
Chemical Classes Other Classes -> Organophosphates, Other

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H350:Carcinogenicity
H400:Hazardous to the aquatic environment, acute hazard
Precautionary Statement Codes P201:Obtain special instructions before use.
P273:Avoid release to the environment.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 697.6 g/mol
XLogP3 4.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 12
Exact Mass 697.57467 g/mol
Monoisotopic Mass 691.58082 g/mol
Topological Polar Surface Area 44.8 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 255
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 3
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Tris(2,3-dibromopropyl) phosphate is a clear colorless to pale yellow viscous liquid. (NTP, 1992)