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HCID 18521Erstellt: 23. Oktober 2026

p-(Methylsulfonyl)toluol

1-METHANESULFONYL-4-METHYL-BENZENE · 4-misyl toluene · 4-Tolylmethylsulfone · 1-Methyl-4-(methylsu · p-Tolyl methyl sulfone · Methyl 4-tolyl sulfone · METHYL P-TOLYL SULFONE · Methyl P-Tosyl Sulfone

https://huagongshe.com/de/chemical/18521

Molekülstruktur von p-(Methylsulfonyl)toluol

Identifikatoren & physikalische Daten

CAS No.3185-99-7
SummenformelC8H10O2S
Durchschnittliche Molmasse170,23 g/mol
Monoisotopische Masse170,04015056 g/mol
SMILESCc1ccc(S(C)(=O)=O)cc1
InChIKeyYYDNBUBMBZRNQQ-UHFFFAOYSA-N
PubChem CID18521
ChEMBLCHEMBL1088935
ChEBICHEBI:234046
EC No.221-682-8
DTXSIDDTXSID6075229
Lokaler Namep-(Methylsulfonyl)toluol

Chemische & physikalische Eigenschaften

XLogP2,2
Polarare Oberfläche (TPSA)42,5
H-Brücken-Donoren0
H-Brücken-Akzeptoren2
Frei drehbare Bindungen1
Schwere Atome11
Formalladung0
Komplexität205
StoffklassenOther Classes -> Sulfur Compounds
SpringerMaterials PropertiesDiamagnetic susceptibility
Physical DescriptionSolid[Sigma-Aldrich MSDS]
Schmelzpunkt85-89 °C(lit.)
Siedepunkt140 °C / 3mmHg
Dichte1.2238 (rough estimate)
Brechungsindex1.5320 (estimate)
LagerbedingungenSealed in dry,Room Temperature
Aggregatzustandpowder to crystal
FarbeWhite to Almost white
BRN607296
InChIInChI=1S/C8H10O2S/c1-7-3-5-8(6-4-7)11(2,9)10/h3-6H,1-2H3
InChIKeyYYDNBUBMBZRNQQ-UHFFFAOYSA-N
SMILESC1(C)=CC=C(S(C)(=O)=O)C=C1
CAS Datenbank3185-99-7(CAS DataBase Reference)
NIST chemische InformationenBenzene, 1-methyl-4-(methylsulfonyl)-(3185-99-7)
EPA chemische InformationenBenzene, 1-methyl-4-(methylsulfonyl)- (3185-99-7)

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 11.4% (5 of 44) of reports.DangerH302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
GefahrenübersichtAn irritant that may cause serious eye injuryHarmful by ingestion[Sigma-Aldrich MSDS] See Diphenyl sulfone. See Dipropyl sulfone.
Hazard Classes and CategoriesAcute Tox. 4 (88.6%)
Wassergefährdungsklasse (WGK)1
Zollcode29309090
R-Sätze (R)22-37/38-41
GefahrensymboleXn,F
Sicherheitshinweise (S)26-36-24/25
GefahrenklasseIRRITANTAcute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Lagerklasse11 - Combustible Solids