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Diphenyl P-phenylphosphonate

HCID 76448
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Basic information

CAS
3049-24-9
Standard SMILES
O=P(Oc1ccccc1)(Oc1ccccc1)c1ccccc1
InChIKey
CDOMXXVCZQOOMT-UHFFFAOYSA-N
Molecular formula
C18H15O3P
Average molar mass
310.3 g/mol
Monoisotopic mass
310.07588133

Names & identifiers

Preferred name
Diphenyl P-phenylphosphonate
IUPAC
[phenoxy(phenyl)phosphoryl]oxybenzene
English name
diphenyl phenylphosphonate
Molecular formula
C18H15O3P
Molecular weight
310.28

Names & synonyms

Diphenyl phenylphosphonate3049-24-9Phosphonic acid, phenyl-, diphenyl esterDTXSID90184560RefChem:1083775Diphenyl P-phenylphosphonateDTXCID30107051221-261-9[phenoxy(phenyl)phosphoryl]oxybenzeneTriphenyl phosphonateMFCD00216888diphenylphenylphosphonate
Show more names
Diphenyl benzenephosphonateBENZENEPHOSPHONICACIDDIPHENYLESTERPhosphonic acid, P-phenyl-, diphenyl ester
Phenylphosphonic acid diphenyl esterEINECS 221-261-9Phenyl-phosphonic acid diphenyl esterBenzenephosphonic acid, diphenyl esterBRN 2944518NSC25435MLS000738040HMS2774L09

Database identifiers

CAS
3049-24-9
PubChem CID
76448
DTXSID
DTXSID90184560
ChEMBL
CHEMBL1530775
EC Number
221-261-9
Nikkaji
J24.884C

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
22
Formal charge
0
Complexity
343

Physicochemical properties

Melting point
72 to · 72.0 to 76.0 °C
Boiling point
165 °C/0.4mmHg · 165°C/0.4mmHg(lit.)
form
powder to crystal
color
White to Light yellow
EWG's Food Scores
1 · 1
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
HS Code
2931.9 · 2931.90.6000

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

hs_code
2931.90.6000
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

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