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Home> Hot Product Listed P   > Phosphoric acid,2,4-dibromophenyl diphenyl ester
121-19-7 structure

Phosphoric acid,2,4-dibromophenyl diphenyl ester

Iupac Name:(4-hydroxy-3-nitrophenyl)arsonic acid
CAS No.:121-19-7
Molecular Weight:263.03700
Molecular Formula:C21H18O3S3 (isomer)
Names and Identifiers
Synonyms

(2,4-dibromophenyl) diphenyl phosphate 2,4-dibromophenyl diphenyl phosphate AC1MI1CY acm31066452 CTK8I1358 DTXSID40185022 OR074926 phosphoric acid 2,4-dibromophenyldiphenyl ester SCHEMBL5704272 ZINC33506148

Inchi
InChI=1S/C6H6AsNO6/c9-6-2-1-4(7(10,11)12)3-5(6)8(13)14/h1-3,9H,(H2,10,11,12)
InChkey
XMVJITFPVVRMHC-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=C(C=C1[As](=O)(O)O)[N+](=O)[O-])O
Properties
Density
1.029
Melting Point
≥300°C(lit.)
Boiling Point
432.6°Cat760mmHg
Vapour
2.24E-12mmHg at 25°C
Flash Point
137.2°C
HS Code
2931900029
Safety and Handling
Risk Statements
R23/25; R50/53
Safety Statements
S20/21; S28; S45; S60; S61
HazardClass
6.1(b)
PackingGroup
III
Transport
UN 3465 6.1/PG 2
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:263.03700g/mol
  • Molecular Formula:C21H18O3S3
  • Compound Is Canonicalized:True
  • Exact Mass:262.941
  • Monoisotopic Mass:262.941
  • Complexity:270
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:124A^2
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBiOAAAAAAAQAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgEECAAACAyBkAAwxoAQQgCB ACRCQwCCAAAgIgCojAAHbIoKJiKSkZOAcBBkwFEI2AeQQAAAAAAAAAAAEAAAAAAAAAAgAAAAAAAA AA==
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