HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 8406Erstellt: 26. Oktober 2026
Phthalaldehydsure
2-FORMYLBENZOIC ACID · OFBA · PHTHALALDEHYDIC ACID · O-FORMYLBENZOIC ACID · O-PHTHALALDEHYDIC ACID · Phthaladehyde · PHTHALDEHYDIC ACID · 3-HYDROXYPHTHALIDE
https://huagongshe.com/de/chemical/8406
Identifikatoren & physikalische Daten
| CAS No. | 119-67-5 |
|---|
| Summenformel | C8H6O3 |
|---|
| Durchschnittliche Molmasse | 150,13 g/mol |
|---|
| Monoisotopische Masse | 150,03169405 g/mol |
|---|
| SMILES | O=Cc1ccccc1C(=O)O |
|---|
| InChIKey | DYNFCHNNOHNJFG-UHFFFAOYSA-N |
|---|
| PubChem CID | 8406 |
|---|
| ChEMBL | CHEMBL234213 |
|---|
| ChEBI | CHEBI:17605 |
|---|
| EC No. | 204-342-3 |
|---|
| DTXSID | DTXSID1059490 |
|---|
| Lokaler Name | Phthalaldehydsure |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|
| Polarare Oberfläche (TPSA) | 54,4 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 3 |
|---|
| Frei drehbare Bindungen | 2 |
|---|
| Schwere Atome | 11 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 165 |
|---|
| Schmelzpunkt | 94-96 °C(lit.) |
|---|
| Siedepunkt | 231.65°C (rough estimate) |
|---|
| Dichte | 1,404 g/cm3 |
|---|
| Brechungsindex | 1.4500 (estimate) |
|---|
| Flammpunkt | 198°(388°F) |
|---|
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
|---|
| Löslichkeit | DMSO (Slightly), Methanol (Slightly)soluble |
|---|
| pKa (Säurekonstante) | 4.57±0.10(Predicted) |
|---|
| Aggregatzustand | Crystalline Powder |
|---|
| Farbe | White to slightly beige |
|---|
| pH | 2 (20g/l, H2O, 20℃) |
|---|
| BRN | 742381 |
|---|
| Stabilität | Hygroscopic |
|---|
| InChI | 1S/C8H6O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H,(H,10,11) |
|---|
| InChIKey | DYNFCHNNOHNJFG-UHFFFAOYSA-N |
|---|
| SMILES | OC(=O)c1ccccc1C=O |
|---|
| CAS Datenbank | 119-67-5(CAS DataBase Reference) |
|---|
| EPA chemische Informationen | Benzoic acid, 2-formyl- (119-67-5) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 53 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Regulatorische Informationen | Chemical: Benzoic acid, 2-formyl-Status: Active Update: 01-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24323Benzoic acid, 2-formyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
|---|
| Wassergefährdungsklasse (WGK) | 2 |
|---|
| TSCA-Inventar-Status | TSCA listed |
|---|
| UN-Transportnummer | PG2 |
|---|
| Zollcode | 29183000 |
|---|
| RTECS-Nr. | TH7015000 |
|---|
| R-Sätze (R) | 36/37/38-20/21/22 |
|---|
| Toxizität | mouse,LD50,oral,4480mg/kg (4480mg/kg),Journal of Antibiotics. Vol. 27, Pg. 665, 1974. |
|---|
| Gefahrensymbole | Xi,Xn |
|---|
| hazard_note | Irritant |
|---|
| Sicherheitshinweise (S) | 26-36-24/25 |
|---|
| Lagerklasse | 11 - Combustible Solids |
|---|
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
|---|
