HuagongsheHuagongshe Chemistry Print Report · For research reference only
4,4'-Dihydroxybenzophenone
DHBP · Hbp · HEBP · Bis(4-hydroxy)benzophenone · Bis(p-hydroxy)benzophenone · 4,4’-dihydroxy-benzophenon · VGL · PRO2900
Identifiers & Physical Properties
| CAS No. | 611-99-4 |
|---|---|
| Molecular formula | C13H10O3 |
| Average molar mass | 214.22 g/mol |
| Monoisotopic mass | 214.06299418 g/mol |
| SMILES | O=C(c1ccc(O)cc1)c1ccc(O)cc1 |
| InChIKey | RXNYJUSEXLAVNQ-UHFFFAOYSA-N |
| PubChem CID | 69150 |
| ChEMBL | CHEMBL194859 |
| ChEBI | CHEBI:34365 |
| EC No. | 210-288-1 |
| DTXSID | DTXSID1022425 |
Chemical & Physical Properties
| XLogP | 2.7 |
|---|---|
| Topological polar surface area | 57.5 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 212 |
| Chemical classes | Other Classes -> Benzophenones |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Physical Description | Yellow powder[Alfa Aesar MSDS] |
| Melting point | 213-215 °C(lit.) |
| Boiling point | 314.35°C (rough estimate) |
| Density | 1.1330 |
| Vapor pressure | 0Pa at 25℃ |
| Refractive index | 1.5090 (estimate) |
| Storage conditions | Sealed in dry,Room Temperature |
| Solubility | DMSO (Slightly), Methanol (Slightly)insoluble |
| Physical state | Fine Crystalline Powder |
| pKa (acidity coefficient) | 7.67±0.15(Predicted) |
| Color | Off-white to beige |
| BRN | 1874572 |
| InChI | 1S/C13H10O3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,14-15H |
| InChIKey | RXNYJUSEXLAVNQ-UHFFFAOYSA-N |
| SMILES | Oc1ccc(cc1)C(=O)c2ccc(O)cc2 |
| LogP (partition coefficient) | 2.5 |
| CAS DataBase Reference | 611-99-4(CAS DataBase Reference) |
| EWG's Food Scores | 2 |
| FDA UNII | HZR7D31SBY |
| NIST Chemistry Reference | Bis(4-hydroxyphenyl)methanone(611-99-4) |
| UNSPSC Code | 12162002 |
| NACRES | NA.23 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H317-H319-H335 |
| GHS precautionary statements | P280-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Faceshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38-43 |
| Safety statements (S) | 26-36/37-37/39-36 |
| Water hazard class (WGK) | 3 |
| RTECS number | DJ0880000 |
| TSCA inventory status | TSCA listed |
| Customs code | 29145000 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3 |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | WarningH315 (84.4%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 64 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 14-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23810Methanone, bis(4-hydroxyphenyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazards summary | Intraperitoneal lethal-dose (mouse) > 500 mg/kg[RTECS] A skin and strong eye irritant[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (84.4%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Faceshields, Gloves |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| RTECS number | DJ0880000 |
| Customs code | 29145000 |
| Risk statements (R) | 36/37/38-43 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36/37-37/39-36 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H317-H319-H335 |
| REACH registrations | Active |
| Hazard class | Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3 |
| GHS precautionary statements | P280-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
4,4'-Dihydroxybenzophenone is as a UV light stabilizer. It and its derivatives are found in cosmetics, plastics, films, adhesives and coatings, optical fiber, and printed circuit boards. It is the precursor to certain polycarbonate polymers.
Preparation & Synthesis
Preparation
Preparation by demethylation of 4,4′ -dimethoxy-benzophenone with aluminium bromide in refluxing benzene for 4 h (88%).