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HCID 198212Erstellt: 26. Oktober 2026

5-Acetylsalicylamid

5-Acetyl · LABEIM-I · JACS-40187-51-7 · 5-Acetylsalicyamide · 5-Acetosalicylamide · 5-Acetylsalicylamid · 5 cetylsalicylamide · 5-ACETYLSALICYLAMIDE

https://huagongshe.com/de/chemical/198212

Molekülstruktur von 5-Acetylsalicylamid

Identifikatoren & physikalische Daten

CAS No.40187-51-7
SummenformelC9H9NO3
Durchschnittliche Molmasse179,17 g/mol
Monoisotopische Masse179,05824315 g/mol
SMILESCC(=O)c1ccc(O)c(C(N)=O)c1
InChIKeyLWAQTCWTCCNHJR-UHFFFAOYSA-N
PubChem CID198212
ChEMBLCHEMBL3186004
EC No.254-830-5
DTXSIDDTXSID2057736
Lokaler Name5-Acetylsalicylamid

Chemische & physikalische Eigenschaften

XLogP1,6
Polarare Oberfläche (TPSA)80,4
H-Brücken-Donoren2
H-Brücken-Akzeptoren3
Frei drehbare Bindungen2
Schwere Atome13
Formalladung0
Komplexität227
Schmelzpunkt220-222 °C(lit.)
Siedepunkt311.69°C (rough estimate)
Dichte1.2822 (rough estimate)
Brechungsindex1.5600 (estimate)
LagerbedingungenSealed in dry,Room Temperature
LöslichkeitDMSO (Slightly), Methanol (Slightly)
pKa (Säurekonstante)6.57±0.18(Predicted)
AggregatzustandSolid
FarbeWhite to Light Brown
InChIInChI=1S/C9H9NO3/c1-5(11)6-2-3-8(12)7(4-6)9(10)13/h2-4,12H,1H3,(H2,10,13)
InChIKeyLWAQTCWTCCNHJR-UHFFFAOYSA-N
SMILESC(N)(=O)C1=CC(C(C)=O)=CC=C1O
CAS Datenbank40187-51-7(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (83%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (83%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Regulatorische InformationenStatus: Active Update: 07-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27472
Hazard Classes and CategoriesAcute Tox. 4 (100%)Acute Tox. 4 (83%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.9%)
Wassergefährdungsklasse (WGK)3
Zollcode2924.29.7790
RTECS-Nr.CU8702280
R-Sätze (R)20/21/22-36/37/38-22
GefahrensymboleXn
Sicherheitshinweise (S)26-36-37/39