트리페닐에틸렌

트라이페닐에틸렌 · 트리페닐에틸렌 · 1,1,2-TRIPHENYLETHYLENE · Ethene-1,1,2-triyltribenzene · Triphenylethene · 1,2,2-Triphenylethylene · AURORA KA-6581 · α-phenylstilbene

https://huagongshe.com/ko/chemical/6025

식별자 및 물리적 특성

CAS No.	58-72-0
분자식	C20H16
평균 분자량	256.3 g/mol
단동위원소 질량	256.12520051 g/mol
SMILES	C(=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIKey	MKYQPGPNVYRMHI-UHFFFAOYSA-N
PubChem CID	6025
ChEMBL	CHEMBL3115201
ChEBI	CHEBI:35034
EC No.	200-395-1
DTXSID	DTXSID3022320
현지명	트리페닐에틸렌

화학 및 물리적 성질

XLogP	6.1
극성 표면적	0
수소 결합 공여자 수	0
수소 결합 수용자 수	0
회전 가능 결합 수	3
무거운 원자 수	20
형식 전하	0
복잡도	276
물질 분류	Other Classes -> Aromatic Hydrocarbons
SpringerMaterials Properties	Boiling point
Endocrine Disruptors	Potential endocrine disrupting compound
Physical Description	White crystalline solid[Sigma-Aldrich MSDS]
Collision Cross Section	153.5 Å² [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID3022320]
녹는점	69-71 °C (lit.)
끓는 점	219-221°C 14mm
밀도	1.0373
굴절률	1.6292
인화점	219-221°C/14mm
저장 조건	Store below +30°C.
물리적 상태	가루
색상	하얀색
BRN	1867462
InChI	InChI=1S/C20H16/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H
InChIKey	MKYQPGPNVYRMHI-UHFFFAOYSA-N
SMILES	C(/C1=CC=CC=C1)=C(\C1=CC=CC=C1)/C1=CC=CC=C1
NIST	Benzene, 1,1',1''-(1-ethenyl-2-ylidene)tris-(58-72-0)
EPA	Triphenylethylene (58-72-0)

화학적 성질

White to slightly beige powder

안전 및 규제

GHS 분류	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: Benzene, 1,1',1''-(1-ethenyl-2-ylidene)tris-Benzene, 1,1',1''-(1-ethenyl-2-ylidene)tris-: Does not have an individual approval but may be used under an appropriate group standard
유해성 요약	A skin and strong eye irritantHarmful by ingestionMay cause allergic reactions in sensitive individuals, based on QSAR modelingReproductive effects observed in experimental animals[Sigma-Aldrich MSDS] See Triphenylmethane. See 1,1-Diphenylethylene and 1,2-Diphenylethylene.
Hazard Classes and Categories	Acute Tox. 4 (100%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
RTECS 번호	KX4920000
운송 번호(UN)	UN 3077 9 / PGIII
관세 코드	29029080
위험 문구(R)	22-36-50/53
위험 표시	Xn,N,Xi
안전 문구(S)	26-36/37-60-61
위험 참고 사항	Irritant
저장 분류	11 - Combustible Solids

용도

Triphenylethylene is used in preparation of Esterase activated aggregation-induced luminescent anticancer prodrug.