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Tri-o-tolyl phosphite

Typical physical and chemical properties
Catalog Number ACM2622084-2
Product Name Tri-o-tolyl phosphite
CAS 2622-08-4
Structure
Synonyms Phosphorous acid tri-o-cresyl ester
IUPAC Name Tris(2-methylphenyl) phosphite
Molecular Weight 352.4
Molecular Formula C21H21O3P
Canonical SMILES CC1=CC=CC=C1OP(OC2=CC=CC=C2C)OC3=CC=CC=C3C
InChI InChI=1S/C21H21O3P/c1-16-10-4-7-13-19(16)22-25(23-20-14-8-5-11-17(20)2)24-21-15-9-6-12-18(21)3/h4-15H,1-3H3
InChIKey BKHZQJRTFNFCTG-UHFFFAOYSA-N
Boiling Point 200-202 °C
Melting Point 11 °C
Flash Point 200-202 °C
Purity 97%+
Density 1.1423 g/mL
Complexity 334
Covalently-Bonded Unit Count 1
Defined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Exact Mass 352.12283153
Formal Charge 0
Heavy Atom Count 25
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
Isotope Atom Count 0
Monoisotopic Mass 352.12283153
Physical State Liquid
Rotatable Bond Count 6
Topological Polar Surface Area 27.7 Ų
Undefined Atom Stereocenter Count 0
Undefined Bond Stereocenter Count 0
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Spec Sheet Download Spec Sheet

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