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Tri-o-cresyl phosphate

CAT: 0931-T20287Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T20287Size:25 mg
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CAS Number
78-30-8
Target
Others
Related Pathways
Others
Bioactivity
Tricresyl phosphate is an organophosphate compound. It is used as a plasticizer and diverse other applications.
Smiles
O=P(OC=1C=CC=CC1C)(OC=2C=CC=CC2C)OC=3C=CC=CC3C
Molecular Formula
C7H7O4P2-
Molecular Weight
186.1
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

o-Cresyl phosphate

see also related IMOL S-140

CAS Number78-30-8
PubChem CID6527
IUPAC Nametris(2-methylphenyl) phosphate
Molecular FormulaC21H21O4P
Molecular Weight368.4
XLogP6.1
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity416
SMILES
CC1=CC=CC=C1OP(=O)(OC2=CC=CC=C2C)OC3=CC=CC=C3C
InChI
InChI=1S/C21H21O4P/c1-16-10-4-7-13-19(16)23-26(22,24-20-14-8-5-11-17(20)2)25-21-15-9-6-12-18(21)3/h4-15H,1-3H3
InChIKey
YSMRWXYRXBRSND-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of o-Cresyl phosphate
CAS: 78-30-8
CID: 6527
Formula: C21H21O4P
MW: 368.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.4
XLogP36.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass368.11774614
Monoisotopic Mass368.11774614
Topological Polar Surface Area44.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity416
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5756399Tri-o-cresyl phosphate
T20595-01Tri-o-cresyl phosphate 96%
sc-296597Tri-p-cresyl Phosphate
sc-473738Tri-m-cresyl Phosphate
TRC-C783005-1Go-Cresyl m-Cresyl p-Cresyl Phosphate
442903-01Bis (m-cresyl) o-Cresyl Phosphate
TRC-B419220-2.5GBis(m-cresyl) o-Cresyl Phosphate
442918-01Bis (p-cresyl) o-Cresyl Phosphate
TRC-B419215-2.5GBis(o-cresyl) m-Cresyl Phosphate
TRC-B419210-2.5GBis(p-cresyl) o-Cresyl Phosphate

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