Tris(1,3-dichloro-2-propyl)phosphate

Catalog Number	ACM13674878-4
CAS	13674-87-8
Structure
Synonyms	1,3-Dichloro-2-propanol phosphate, Phosphoric acid tris(1,3-dichloro-2-propyl ester)
IUPAC Name	tris(1,3-dichloropropan-2-yl) phosphate
Molecular Weight	430.90
Molecular Formula	C9H15Cl6O4P
Canonical SMILES	C(C(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl)Cl
InChI	ASLWPAWFJZFCKF-UHFFFAOYSA-N
InChI Key	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
Boiling Point	315 °C
Melting Point	-64 °C
Flash Point	249 °C
Purity	90%+
Density	1.512 g/cm3
Appearance	Solid
Complexity	243
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
EC Number	237-159-2
Exact Mass	429.880962
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Monoisotopic Mass	427.883912
Rotatable Bond Count	12
Topological Polar Surface Area	44.8 Ų