CAS 13674-87-8 Tris(1,3-dichloro-2-propyl) phosphate, 95%

Synonyms

CRP (fireproofing agent); Tox21_202166; MFCD00083121; RTR-004909; Tris(2-chloro-1-(chloromethyl)ethyl)phosphate; Tris(1.3-dichloro-2-propyl) phosphate; Tris(2-chloro-1-(chloromethyl)ethyl) phosphate; CCRIS 6284; crp(fireproofingagent); Tris-(1,3-dichloro-2-propyl)-phosphate;

IUPAC Name

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

Molecular Weight

430.889g/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;

Melting Point

27.0°C;

Density

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

Solubility

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

Color Form

Viscous liquid;Clear liquid;

Complexity

243

Covalently-Bonded Unit Count

Decomposition

When heated to decomposition, it emits toxic fumes of /hydrogen chloride/.;Tris(1,3-dichloro-2-propyl) phosphate was subjected to thermal oxidative degradation in air at 370 deg C, hydrogen halides and halogenated C2- and C3-species resulted, acrolein presented the major toxic hazard. PubMed Abstract;

EC Number

237-159-2

Exact Mass

429.881g/mol

H-Bond Acceptor

Heavy Atom Count

Monoisotopic Mass

427.884g/mol

Odor

Mild odor;

Other Experimental

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

Rotatable Bond Count

Stability

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

Topological Polar Surface Area

44.8A^2

UNII

B1PRV4G0T0

Vapor Pressure

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

Application

Tris(1,3-dichloro-2-propyl) phosphate, 95%, is primarily used as a flame retardant with applications spanning numerous sectors, including the production of polyurethane foams, paints, coatings, furniture, building materials, and textiles. Its key role is to enhance fire resistance in products such as flexible polyurethane foams, which are commonly utilized in molded automotive seating and slabstock foam for furniture. This substance is characterized by its clear, colorless, viscous liquid form, relatively low molecular weight, and low solubility in water. Although it can become solid when exposed to low temperatures for extended durations, its primary purpose remains focused on providing flame retardant properties to various consumer and industrial goods.

January 20, 2025

An Effective Flame Retardant for Research

Utilized in our lab for polyurethane studies, Tris(1,3-dichloro-2-propyl) phosphate proved reliable. Its flame-retardant properties and ease of use in creating automotive foam samples were noteworthy, enhancing our project outcomes.