HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
p-Hydroxyphenylbenzoat
1-benzoate · 4-Hydroxyphenyl benzoate · P-HYDROXYPHENYL BENZOATE · 1,4-Diphenol, 1-benzoate · hydroquinone monobenzoate · 1,4-Benzenediol 1-benzoate · p-Hydroquinone monobenzoate · 4-Hydroxyphenyl benzoate-98%
Identifikatoren & physikalische Daten
| CAS No. | 2444-19-1 |
|---|---|
| Summenformel | C13H10O3 |
| Durchschnittliche Molmasse | 214,22 g/mol |
| Monoisotopische Masse | 214,06299418 g/mol |
| SMILES | O=C(Oc1ccc(O)cc1)c1ccccc1 |
| InChIKey | JFAXJRJMFOACBO-UHFFFAOYSA-N |
| PubChem CID | 75549 |
| EC No. | 219-479-4 |
| DTXSID | DTXSID9051905 |
| Lokaler Name | p-Hydroxyphenylbenzoat |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 225 |
| SpringerMaterials Properties | Chemical structure |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Collision Cross Section | 154.7 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID9051905] |
| Schmelzpunkt | 164-165°C |
| Siedepunkt | 376.6±25.0 °C(Predicted) |
| Dichte | 1.250±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 9.59±0.26(Predicted) |
| BRN | 2050596 |
| CAS Datenbank | 2444-19-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (11.1%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P272, 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 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (11.1%) |
| R-Sätze (R) | 36/37/38 |
| Sicherheitshinweise (S) | 26-36 |
Anwendungen & Verwendung
Verwenden
4-Hydroxyphenyl Benzoate is a useful intermediate and is used in the production of insecticide, Pyridalyl (P997113).