| Pubchem Sid | 504755856 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504755856 |
| Canonical Smiles | C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3C(=O)O |
| IUPAC Name | 2-diphenylphosphanylbenzoic acid |
| InChIKey | UYRPRYSDOVYCOU-UHFFFAOYSA-N |
| 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) |
| Isomeric SMILES | C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3C(=O)O |
| WGK Germany | 3 |
| RTECS | DG9287500 |
| Molecular Weight | 306.3 |
| Reaxy-Rn | 2742666 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2742666&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenylphosphines and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylphosphines and derivatives |
| Alternative Parents | Benzoic acids Benzoyl derivatives Organic phosphines and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Triphenylphosphine - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Phenylphosphine - Phosphine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Organophosphorus compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylphosphines and derivatives. These are compounds containing a phenylphosphine, which consists of phosphine substituent bound to a phenyl group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2003077 | Certificate of Analysis | Jan 07, 2026 | D102802 |
| H2003075 | Certificate of Analysis | Jan 07, 2026 | D102802 |
| F2207308 | Certificate of Analysis | Dec 10, 2025 | D102802 |
| D1816122 | Certificate of Analysis | Aug 21, 2025 | D102802 |
| D1816121 | Certificate of Analysis | Aug 21, 2025 | D102802 |
| C2024051 | Certificate of Analysis | Jun 16, 2025 | D102802 |
| D2523049 | Certificate of Analysis | Apr 30, 2025 | D102802 |
| A2425010 | Certificate of Analysis | Feb 01, 2024 | D102802 |
| Sensitivity | Moisture sensitive. |
|---|---|
| Melt Point(°C) | 174-181°C |
| Molecular Weight | 306.300 g/mol |
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 306.081 Da |
| Monoisotopic Mass | 306.081 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 340.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Xiuqin Dong, Chen Xin, Lingtao Wang, Hao Gong, Yifei Chen. (2023) The hydroformylation of 1-butene on phosphine modified 1Rh/MOF-5 prepared by different immobilization strategies. Molecular Catalysis, [PMID:] [10.1016/j.mcat.2023.112973] |
| 2. Huawei Niu, Xintong Mi, Xinting Hua, Yuanyuan Zhang, Yaping Zhai, Fangyuan Qin, Yong Ye, Yufen Zhao. (2021) A bifunctional fluorescent probe based on “AND logic” for the simultaneous recognition of H2S/HNO and its bioimaging applications. ANALYTICA CHIMICA ACTA, [PMID:35057948] [10.1016/j.aca.2021.339341] |
| 3. Yifei Chen, Yongru You, Chen Xin, Xiuqin Dong, Hao Gong. (2024) Rational design of ligand-immobilized Rh/IRMOFs catalysts for 1-butene hydroformylation with high regioselectivity. Journal of Environmental Chemical Engineering, [PMID:] [10.1016/j.jece.2024.114163] |
