[4-[(4-메틸페닐)티오]페닐]페닐 메타논

[4-[(4-메틸페닐)티오]페닐]페닐메타논 · OMNIRAD BMS · APi-BMS · YF-PI BMS · IHT-PI BMS · SYNCURE BMS · Kayacure BMS · SPEEDCURE BMS

식별자 및 물리적 특성

CAS No.	83846-85-9
분자식	C20H16OS
평균 분자량	304.4 g/mol
단동위원소 질량	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
현지명	[4-[(4-메틸페닐)티오]페닐]페닐 메타논

XLogP	5.9
극성 표면적	42.4
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	4
무거운 원자 수	22
형식 전하	0
복잡도	345
녹는점	73 °C
끓는 점	477.8±28.0 °C(Predicted)
밀도	1.20±0.1 g/cm3(Predicted)
증기압	0.001Pa at 25℃
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
용해도	클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태	고체
색상	흰색에서 황백색까지
용해도	7.38μg/L at 20℃
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(분배 계수)	5.89 at 30℃
NIST	Quantacure bms(83846-85-9)
EPA	Methanone, [4-[(4-methylphenyl)thio]phenyl]phenyl- (83846-85-9)

White to Off-White Solid

GHS 분류	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.
규제 정보	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 등재 상태	TSCA listed
관세 코드	2930909899
위험 문구(R)	22-36/37/38
위험 표시	Xn
안전 문구(S)	22-26-36/37/39
기존화학 물질	KE-24849

A reagent for high performance polymer research.