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tri-2,4-xylyl Phosphate

CAT: 0572-TRC-T891900-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T891900-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3862-12-2
Synonyms
Dimethyl-phenol Phosphate; Xylenol Phosphate; Xylyl Phosphate; Antiblaze 524; Antiblaze TXP; Coalite NTP; Durad 220X; Durad TXP; Fyrquel L; Phosflex 179; Phosphoric Acid Trixylyl Ester; TXP; Trixylenyl Phosphate; tris(2,4-dimethylphenyl) phosphate; Tri(2,4-xylenyl) phosphate
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
O=P(OC1=CC=C(C=C1C)C)(OC2=CC=C(C=C2C)C)OC3=CC=C(C=C3C)C
Molecular Formula
C24H27O4P
Molecular Weight
410.45
InChI
InChI=1S/C24H27O4P/c1-16-7-10-22(19(4)13-16)26-29(25,27-23-11-8-17(2)14-20(23)5)28-24-12-9-18(3)15-21(24)6/h7-15H,1-6H3
Additionnal Information
IUPAC name: tris(2,4-dimethylphenyl) phosphate
Shipping Conditions
Dry Pack
Storage Conditions
+4°C

Chemical Information

Trixylenyl phosphate

Toxic by ingestion and skin absorption when pure. Produces phosphorus oxide gases during combustion. Primary hazard is threat to the environment. Immediate steps should be taken to limit spread to the environment. Easily penetrates soil to contaminate groundwater and nearby waterways.

CAS Number3862-12-2
PubChem CID19736
IUPAC Nametris(2,4-dimethylphenyl) phosphate
Molecular FormulaC24H27O4P
Molecular Weight410.4
XLogP7.2
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity491
SMILES
CC1=CC(=C(C=C1)OP(=O)(OC2=C(C=C(C=C2)C)C)OC3=C(C=C(C=C3)C)C)C
InChI
InChI=1S/C24H27O4P/c1-16-7-10-22(19(4)13-16)26-29(25,27-23-11-8-17(2)14-20(23)5)28-24-12-9-18(3)15-21(24)6/h7-15H,1-6H3
InChIKey
KOWVWXQNQNCRRS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trixylenyl phosphate
CAS: 3862-12-2
CID: 19736
Formula: C24H27O4P
MW: 410.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.4
XLogP37.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass410.16469634
Monoisotopic Mass410.16469634
Topological Polar Surface Area44.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity491
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
RG-A261981-01Tri- (2,4-Xylyl) Phosphate
AR-X19838-01Tri- (2,5-Xylyl) Phosphate
558591Tri(2-butoxyethyl) phosphate
GTR19224678-01Tri (2-butoxyethyl) phosphate
T31450-01Tri (2-chloropropyl) phosphate
T31919-01Tri (2-chloropropyl) phosphate 99%
FI34259-01Tri-isobutyl phosphate
06905-35tri-Calcium Phosphate
3125635Tri-Sodium phosphate
042570-01Tri-Calcium Phosphate (Calcium Phosphate Tribasic)

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