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HCID 2760950Erstellt: 26. Oktober 2026

2-(4-(Methylsulfonyl)phenyl)acetonitrile

4-(Methylsulphonyl)benzyl cyanide · 2-(4-methylsulfonylphenyl)acetonitrile · (4-methanesulfonyl-phenyl)-acetonitrile · Benzeneacetonitrile,4-(methylsulfonyl)- · Etoricoxib impurity 15/4-(Methylsulphonyl)phenylacetonitrile · 4-(Methylsulphonyl)benzyl cyanide, 4-(Cyanomethyl)phenyl methyl sulphone

https://huagongshe.com/de/chemical/2760950

Molekülstruktur von 2-(4-(Methylsulfonyl)phenyl)acetonitrile

Identifikatoren & physikalische Daten

CAS No.25025-07-4
SummenformelC9H9NO2S
Durchschnittliche Molmasse195,24 g/mol
Monoisotopische Masse195,0353997 g/mol
SMILESCS(=O)(=O)c1ccc(CC#N)cc1
InChIKeySFWFEBXQACRQMF-UHFFFAOYSA-N
PubChem CID2760950
EC No.674-303-7
DTXSIDDTXSID50375432

Chemische & physikalische Eigenschaften

XLogP1,1
Polarare Oberfläche (TPSA)66,3
H-Brücken-Donoren0
H-Brücken-Akzeptoren3
Frei drehbare Bindungen2
Schwere Atome13
Formalladung0
Komplexität298
Schmelzpunkt124 °C
Siedepunkt405.3±37.0 °C(Predicted)
Dichte1.240±0.06 g/cm3(Predicted)
LagerbedingungenStore at room temperature
Aggregatzustandsolid
FarbeOff-white

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (100%): 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 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]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, 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 2 reports by companies from 2 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.
Hazard Classes and CategoriesAcute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)
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