2-Diphenylphosphinobenzoic acid
Properties
- Molecular formula
- C19H15O2P
- Molar mass
- 306.30 g/mol
- Exact mass
- 306.0810 Da
- Melting point
- 165–167 °C
- Boiling point
- 159 °C
- logP
- 3.14Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 4
Hazards
Warning
- H315 Causes skin irritation97.9% of notifiers
- H319 Causes serious eye irritation97.9% of notifiers
- H332 Harmful if inhaled89.6% of notifiers
- H335 May cause respiratory irritation95.8% of notifiers
Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
17261-28-8SMILES
O=C(O)c1ccccc1P(c1ccccc1)c1ccccc1InChIKey
UYRPRYSDOVYCOU-UHFFFAOYSA-NInChI
InChI=1S/C19H15O2P/c20-19(21)17-13-7-8-14-18(17)22(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H,20,21)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzoic acid, 2-(diphenylphosphino)-
- Benzoic acid, o-(diphenylphosphino)-
- 2-(Diphenylphosphino)benzoic acid
- o-(Diphenylphosphino)benzoic acid
- (2-Carboxyphenyl)diphenylphosphine
- 2-(Diphenylphosphanyl)benzoic acid
Work with 2-Diphenylphosphinobenzoic acid
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Phthalic acid88-99-357 % similar
Diphenic acid482-05-352 % similar
Ammonium phthalate523-24-052 % similar
2-Chlorobenzoic acid118-91-252 % similar
Anthranilic acid118-92-352 % similar
1,2-Bis(diphenylphosphino)benzene13991-08-750 % similar
1-Biphenyl-2-carboxylic acid947-84-250 % similar
2-Benzoylbenzoic acid85-52-949 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.