Basic information
- CAS
64532-97-4- Standard SMILES
CCCCCCCCCc1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1- InChIKey
LMCLPMXCYFSRNG-UHFFFAOYSA-N- Molecular formula
- C27H33O4P
- Average molar mass
- 452.5 g/mol
- Monoisotopic mass
- 452.21164653
Names & identifiers
- Preferred name
- Nonylphenyl diphenyl phosphate
- IUPAC
- (4-nonylphenyl) diphenyl phosphate
- English name
- NONYLPHENYLDIPHENYLPHOSPHATE
- Molecular formula
- C27H33O4P
- Molecular weight
- 452.52
Names & synonyms
Nonylphenyl diphenyl phosphateCCRIS 4686Phosphoric acid, 4-nonylphenyl diphenyl esterRefChem:8546794-Nonylphenyl diphenyl phosphate64532-97-4Nonylphenyl diphenyl phosphate, 4-82MH776298UNII-82MH776298SCHEMBL1548161DTXSID4025797LMCLPMXCYFSRNG-UHFFFAOYSA-N
Show more names
NONYLPHENYLDIPHENYLPHOSPHATE
Q27269341
Database identifiers
- CAS
64532-97-4- PubChem CID
- 47417
- DTXSID
DTXSID4025797- UNII
- 82MH776298
- Nikkaji
- J1.607.487J
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 496
Physicochemical properties
- Henry's Law Constant
- 8.1 · 8.1×102 mol/(m3Pa) at 25℃, Keshavarz et al. (2022)
- FDA UNII
- 82 MH776298 · 82MH776298
- EPA Substance Registry System
- 4 · 4-Nonylphenyl diphenyl phosphate (64532-97-4)
Chemistry & industry
Applications
UsesNonylphenyl diphenyl phosphate
Suppliers2 total
United States Biological Inc.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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