CAS 13674-87-8 Tri(2,3-dichloropropyl) Phosphate

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Tri(2,3-dichloropropyl) Phosphate

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Catalog Number

ACM13674878-3

Product Name

Tri(2,3-dichloropropyl) Phosphate

Structure

CAS

13674-87-8

Category

Polymers

Description

Tris(1,3-dichloro-2-propyl)phosphate is a clear colorless viscous liquid. Generally a super-cooled liquid at room temperature but may occasionally solidify when held at low temperatures for prolonged periods. (NTP, 1992);Liquid

IUPAC Name

tris(1,3-dichloropropan-2-yl) phosphate

Molecular Weight

430.9g/mol

Molecular Formula

C9H15Cl6O4P

Canonical SMILES

C(C(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl)Cl

InChI

InChI=1S/C9H15Cl6O4P/c10-1-7(2-11)17-20(16,18-8(3-12)4-13)19-9(5-14)6-15/h7-9H,1-6H2

InChI Key

ASLWPAWFJZFCKF-UHFFFAOYSA-N

Boiling Point

457 to 459 °F at 5 mm Hg (NTP, 1992)

Melting Point

27.0 °C

Flash Point

485 °F (NTP, 1992);252 °C (Cleveland open cup)

Density

1.508 at 72 °F (NTP, 1992);1.48 kg/L at 25 °C

Solubility

less than 1 mg/mL at 75° F (NTP, 1992);1.62e-05 M;In water, 7 mg/L at 24 °C;Soluble in most organic solvents

Color/Form

Viscous liquid;Clear liquid

Complexity

243

Covalently-Bonded Unit Count

EC Number

237-159-2

Exact Mass

429.880962g/mol

Formal Charge

Heavy Atom Count

Log P

3.65 (LogP);log Kow = 3.65

MeSH Entry Terms

Fyrol FR 2;TDCPP compound;tris(1,3-dichloro-2-propyl)phosphate

Monoisotopic Mass

427.883912g/mol

Odor

Mild odor

Other Experimental

BP: 236-237 °C at 5 mm Hg;Decomposes gradually when heated above 200 °C;Henry's Law constant = 2.61X10-9 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 1.81X10-11 cu cm/molec-sec at 25 °C (est)

Refractive Index

Index of refraction: 1.5022 at 20 °C

Rotatable Bond Count

Stability

Resistant to chlorination in aqueous soln; it has an extremely low rate of hydrolysis & resists attack by bases.

UNII

B1PRV4G0T0

Vapor Pressure

10.3 mm Hg at 77 °F (NTP, 1992);2.86X10-7 mm Hg at 25 °C (est)

XLogP3

3.3

MSDS