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
1
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
4
Heavy Atom Count
20
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
12
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);
