Methanone, (4-((4-methylphenyl)thio)phenyl)phenyl-

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Identifikatoren & physikalische Daten

CAS No.	83846-85-9
Summenformel	C20H16OS
Durchschnittliche Molmasse	304,4 g/mol
Monoisotopische Masse	304,0921863 g/mol
SMILES	Cc1ccc(Sc2ccc(C(=O)c3ccccc3)cc2)cc1
InChIKey	DBHQYYNDKZDVTN-UHFFFAOYSA-N
PubChem CID	174341
EC No.	281-064-9
DTXSID	DTXSID10888614

XLogP	5,9
Polarare Oberfläche (TPSA)	42,4
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	4
Schwere Atome	22
Formalladung	0
Komplexität	345
Schmelzpunkt	73 °C
Siedepunkt	477.8±28.0 °C(Predicted)
Dichte	1.20±0.1 g/cm3(Predicted)
Dampfdruck	0.001Pa at 25℃
Lagerbedingungen	Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit	Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)7.38μg/L at 20℃
Aggregatzustand	Solid
Farbe	White to Off-White
InChI	InChI=1S/C20H16OS/c1-15-7-11-18(12-8-15)22-19-13-9-17(10-14-19)20(21)16-5-3-2-4-6-16/h2-14H,1H3
InChIKey	DBHQYYNDKZDVTN-UHFFFAOYSA-N
SMILES	C(C1=CC=C(SC2=CC=C(C)C=C2)C=C1)(C1=CC=CC=C1)=O
LogP (Verteilungskoeffizient)	5.89 at 30℃
CAS Datenbank	83846-85-9(CAS DataBase Reference)
NIST chemische Informationen	Quantacure bms(83846-85-9)
EPA chemische Informationen	Methanone, [4-[(4-methylphenyl)thio]phenyl]phenyl- (83846-85-9)

GHS-Einstufung	WarningH302+H312 (45.9%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oralacute toxicity, dermal]P261, P264, P264+P265, P270, P271, P273, 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 61 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Chemical: Methanone, [4-[(4-methylphenyl)thio]phenyl]phenyl-PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.REACH registered substance: 4-(4-methylphenylthio)benzophenone (EC: 281-064-9)Methanone, 4-(4-methylphenyl)thiophenylphenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Acute Tox. 4 (77%)
TSCA-Inventar-Status	TSCA listed
Zollcode	2930909899
R-Sätze (R)	22-36/37/38
Gefahrensymbole	Xn
Sicherheitshinweise (S)	22-26-36/37/39

A reagent for high performance polymer research.