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HCID 75484Erstellt: 26. Oktober 2026

Methyl-2,3-dihydroxybenzoat

Benzoic acid, 2,3-dihydroxy-, Methyl ester · NSC 174147 · Fluopyram Impurity 7 · 2,3-Dihydroxy methyl benzoate · Methyl2,3-Dihydroxybenzoate>2,3-dihydroxybenzoic acid Methyl

https://huagongshe.com/de/chemical/75484

Molekülstruktur von Methyl-2,3-dihydroxybenzoat

Identifikatoren & physikalische Daten

CAS No.2411-83-8
SummenformelC8H8O4
Durchschnittliche Molmasse168,15 g/mol
Monoisotopische Masse168,04225874 g/mol
SMILESCOC(=O)c1cccc(O)c1O
InChIKeyDOAJWTSNTNAEIY-UHFFFAOYSA-N
PubChem CID75484
ChEMBLCHEMBL448062
EC No.219-317-2
DTXSIDDTXSID20178836
Lokaler NameMethyl-2,3-dihydroxybenzoat

Chemische & physikalische Eigenschaften

XLogP1,5
Polarare Oberfläche (TPSA)66,8
H-Brücken-Donoren2
H-Brücken-Akzeptoren4
Frei drehbare Bindungen2
Schwere Atome12
Formalladung0
Komplexität168
Schmelzpunkt78.0 to 82.0 °C
Siedepunkt96°C/3.5mmHg(lit.)
Dichte1.354±0.06 g/cm3(Predicted)
LagerbedingungenInert atmosphere,Room Temperature
Aggregatzustandpowder to crystal
pKa (Säurekonstante)8.98±0.10(Predicted)
FarbeWhite to Gray to Red
InChIInChI=1S/C8H8O4/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4,9-10H,1H3
InChIKeyDOAJWTSNTNAEIY-UHFFFAOYSA-N
SMILESC(OC)(=O)C1=CC=CC(O)=C1O
LogP (Verteilungskoeffizient)2.060 (est)
CAS Datenbank2411-83-8

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 4 (50%)
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