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Phenyl propan-2-yl hydrogen phosphate

HCID 93246
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Basic information

CAS
46355-07-1
Standard SMILES
CC(C)OP(=O)(O)Oc1ccccc1
InChIKey
WRXFONORSZHETC-UHFFFAOYSA-N
Molecular formula
C9H13O4P
Average molar mass
216.17 g/mol
Monoisotopic mass
216.05514589

Names & identifiers

Preferred name
Phenyl propan-2-yl hydrogen phosphate
IUPAC
phenyl propan-2-yl hydrogen phosphate
English name
Isopropyl phenyl phosphate
Molecular formula
C9H13O4P
Molecular weight
216.170881

Names & synonyms

46355-07-1phenyl propan-2-yl hydrogen phosphateDTXSID90963559RefChem:1095015DTXCID201391307Isopropyl phenyl phosphateMonoisopropyl monophenyl phosphateisopropyl phenyl hydrogen phosphatephenoxy(propan-2-yloxy)phosphinic acidBRN 1968591Mono(1-methylethyl) Phosphoric Acid Monophenyl EsterPhosphoric acid, mono(1-methylethyl) monophenyl ester
Show more names
Isopropylphenyl phosphate sodium salt in methanolIsopropylphenyl phosphate (monoisopropylmonophenyl phosphate)
IsopropylPhenylPhosphatephenol isopropyl phosphateSCHEMBL501772MSK166586-100BMSK166586-1000BNS00008856Isopropyl phenyl phosphate Solution in Acetone, 1000ug/mLIsopropyl phenyl phosphate Solution in Acetone, 100ug/mL

Database identifiers

CAS
46355-07-1
PubChem CID
93246
DTXSID
DTXSID90963559
Nikkaji
J1.619.376C

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
55.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
14
Formal charge
0
Complexity
211

Experimental & physicochemical properties

Chemical ClassesOrganophosphate diesters (OPDE)

Physicochemical properties

solubility
Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form
Thick Oil to Gel
color
Colourless to Light Brown
Stability
Hygroscopic. Moisture Sensitive
EPA Substance Registry System
Monoisopropyl monophenyl phosphate (46355-07-1)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

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

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Applications

UsesIsopropyl Phenyl Phosphate is a polymer plasticizer for controlled release pesticide formulations. Isopropyl Phenyl Phosphate is also used as an antiwear and fireproofing agent.

Related reactions

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Compound notes

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