Zurück
HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 53403239Erstellt: 27. Oktober 2026

Methyl 3-ethynyl-4-methylbenzoate

methyl 3-ethynyl-4-methylbenzoate · Ponatinib RC 1 · PotinibImpurity3 · METHYL 3-ETHYNYL-4-METHYLBENZATE · 3-Ethynyl-4-methyl-benzoic acid methyl ester · Benzoic acid, 3-ethynyl-4-methyl-, methyl ester · (Z)-3-((2-(2-cyanovinyl)-1H-imidazol-5-yl)ethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide

https://huagongshe.com/de/chemical/53403239

Molekülstruktur von Methyl 3-ethynyl-4-methylbenzoate

Identifikatoren & physikalische Daten

CAS No.1255099-13-8
SummenformelC11H10O2
Durchschnittliche Molmasse174,2 g/mol
Monoisotopische Masse174,06807956 g/mol
SMILESC#Cc1cc(C(=O)OC)ccc1C
InChIKeyIJWDCLWLOGCXOQ-UHFFFAOYSA-N
PubChem CID53403239
EC No.872-847-1
DTXSIDDTXSID70695149

Chemische & physikalische Eigenschaften

XLogP2,4
Polarare Oberfläche (TPSA)26,3
H-Brücken-Donoren0
H-Brücken-Akzeptoren2
Frei drehbare Bindungen3
Schwere Atome13
Formalladung0
Komplexität236
Siedepunkt273.9±33.0 °C(Predicted)
Dichte1.09±0.1 g/cm3(Predicted)
LagerbedingungenStore at room temperature

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and CategoriesAcute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)
AlarmwortWarnung
GefahrenhinweiseCode Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302