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HCID 249413Erstellt: 26. Oktober 2026

3,5-Dimethyl-4-nitrobenzoic acid

TIMTEC-BB SBB000338 · 3,5-Dimethyl-4-Nitrobezoic acid · 3,5-Dimethyl-4-nitrobenzoic acid · 4-NITRO-3,5-DIMETHYL BENZOIC ACID · Benzoic acid, 3,5-dimethyl-4-nitro- · 3,5-DIMETHYL-4-NITROBENZOIC ACID 97% · 3,5-DiMethyl-4-nitrobenzoic acid, 97%, 97% · 2,2'-Biquinoline-4,4'-diyl bis(phosphine) ruthenium(II) complex

https://huagongshe.com/de/chemical/249413

Molekülstruktur von 3,5-Dimethyl-4-nitrobenzoic acid

Identifikatoren & physikalische Daten

CAS No.3095-38-3
SummenformelC9H9NO4
Durchschnittliche Molmasse195,17 g/mol
Monoisotopische Masse195,05315777 g/mol
SMILESCc1cc(C(=O)O)cc(C)c1[N+](=O)[O-]
InChIKeyRBAVFNOGEPCOQI-UHFFFAOYSA-N
PubChem CID249413
EC No.636-547-2
DTXSIDDTXSID00290267

Chemische & physikalische Eigenschaften

XLogP2
Polarare Oberfläche (TPSA)83,1
H-Brücken-Donoren1
H-Brücken-Akzeptoren4
Frei drehbare Bindungen1
Schwere Atome14
Formalladung0
Komplexität236
Schmelzpunkt221-223°C
Siedepunkt356.5±30.0 °C(Predicted)
Dichte1.333±0.06 g/cm3(Predicted)
Lagerbedingungen2-8°C
pKa (Säurekonstante)3.56±0.10(Predicted)
LöslichkeitInsoluble in water.
BRN1965772
CAS Datenbank3095-38-3(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 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 (90.7%)
R-Sätze (R)36/37/38
Sicherheitshinweise (S)26-36

Anwendungen & Verwendung

Verwenden

3,5-Dimethyl-4-nitrobenzoic acid is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.