Basic information
- CAS
4923-86-8- Standard SMILES
CC(C)(C)P(=O)(O)c1ccccc1- InChIKey
AIUXUYWBAIPHHR-UHFFFAOYSA-N- Molecular formula
- C10H15O2P
- Average molar mass
- 198.2 g/mol
- Monoisotopic mass
- 198.08096671
Names & identifiers
- Preferred name
- tert-Butylphenylphosphinic acid
- IUPAC
- tert-butyl(phenyl)phosphinic acid
- English name
- (tert-Butyl)phenylphosphinic acid
- Molecular formula
- C10H15O2P
- Molecular weight
- 198.2
Names & synonyms
tert-Butylphenylphosphinic acidPhosphinic acid, tert-butylphenyl-HAD2VL88DFNSC-134098DTXSID00197742RefChem:188287DTXCID60120233Phosphinic acid, tert-butylphenyl-(8CI)AIUXUYWBAIPHHR-UHFFFAOYSA-N4923-86-8tert-butyl(phenyl)phosphinic acidPhosphinic acid, (1,1-dimethylethyl)phenyl-
Show more names
t-butyl(phenyl)phosphinic acid(tert-Butyl)phenylphosphinic acid(1,1-Dimethylethyl)phenylphosphinic acidPhosphinic acid, P-(1,1-dimethylethyl)-P-phenyl-
NSC 134098Phosphinic acid, tert-butylphenyl- (8CI)UNII-HAD2VL88DFSCHEMBL4879440NSC134098SDCCGMLS-0064492.P001Phosphinic acid,1-dimethylethyl)phenyl-
Database identifiers
- CAS
4923-86-8- PubChem CID
- 78636
- DTXSID
DTXSID00197742- UNII
- HAD2VL88DF
- Nikkaji
- J104.403F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Melting point
- 156 · 156-157 °C(Solv: water (7732-18-5))
- Boiling point
- 377.3 · 377.3±15.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- pka
- 3.01 · 3.01±0.50(Predicted)
- FDA UNII
- 2 VL88DF · HAD2VL88DF
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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