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Home> Hot Product Listed P   > Phosphoric acid,trinonyl ester
95635-56-6 structure

Phosphoric acid,trinonyl ester

CAS No.:95635-56-6
EINECS(EC#): 261-631-7
Molecular Weight:500.4584
Molecular Formula:C13H13O3P (isomer)
Names and Identifiers
Synonyms

Nonylphosphate (((C9H19O)3PO)) (6CI,7CI) Phosphoric Acid Trinonyl Ester Trinonyl phosphate TRINONYLPHOSPHATE ZOPCDOGRWDSSDQ-UHFFFAOYSA-N

Inchi
InChI=1/C24H33N3O4.2ClH/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3;;/h4-10,20,28H,11-17H2,1-3H3,(H,25,29);2*1H
Canonical Smiles
CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O.Cl.Cl
Properties
Density
1.425
Melting Point
222-229.5 °C(lit.)
Boiling Point
521°Cat760mmHg
Safety and Handling
Safety Statements
S22;S24/25
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:500.4584g/mol
  • Molecular Formula:C13H13O3P
  • Exact Mass:499.200462
  • Monoisotopic Mass:499.200462
  • Complexity:531
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:74.3
  • Heavy Atom Count:33
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:3
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  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:+86-0592-5567629
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