HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 243003Erstellt: 23. Oktober 2026
Methyl 2-formylbenzoate
METHYL 2-FORMYLBENZOATE · methyl o-formylbenzoate · 2-CARBOMETHOXYBENZALDEHYDE · 2-aldehydeylmethyl benzoate · Methyl 2-formylbenzoate ,97% · 2-FORMYLBENZOICACIDMETHYLESTER · Phthalaldehydic acid methyl ester · Benzoicacid,2-formyl-,methylester
https://huagongshe.com/de/chemical/243003
Identifikatoren & physikalische Daten
| CAS No. | 4122-56-9 |
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| Summenformel | C9H8O3 |
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| Durchschnittliche Molmasse | 164,16 g/mol |
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| Monoisotopische Masse | 164,04734412 g/mol |
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| SMILES | COC(=O)c1ccccc1C=O |
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| InChIKey | YRMODRRGEUGHTF-UHFFFAOYSA-N |
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| PubChem CID | 243003 |
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| EC No. | 802-108-0 |
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| DTXSID | DTXSID60961507 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
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| Polarare Oberfläche (TPSA) | 43,4 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 177 |
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| Schmelzpunkt | 50 °C |
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| Siedepunkt | 88 °C |
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| Dichte | 1.181±0.06 g/cm3(Predicted) |
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| Brechungsindex | 1.5411 |
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| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
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| Aggregatzustand | semi-solid |
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| Farbe | Colourless |
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| InChI | 1S/C9H8O3/c1-12-9(11)8-5-3-2-4-7(8)6-10/h2-6H,1H3 |
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| InChIKey | YRMODRRGEUGHTF-UHFFFAOYSA-N |
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| SMILES | O=C(OC)C(C=CC=C1)=C1C=O |
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| CAS Datenbank | 4122-56-9(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 16 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (25%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Zollcode | 29183000 |
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| R-Sätze (R) | 36/37/38-20/21/22 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 24/25-36/37/39-26 |
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| Gefahrenklasse | IRRITANTAcute Tox. 4 Oral |
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| Lagerklasse | 11 - Combustible Solids |
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