에틸트리페닐포스포늄요오드

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https://huagongshe.com/ko/chemical/78474

식별자 및 물리적 특성

CAS No.	4736-60-1
분자식	C20H20P.I
평균 분자량	418.2 g/mol
단동위원소 질량	418.03473527 g/mol
SMILES	CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIKey	SLAFUPJSGFVWPP-UHFFFAOYSA-M
PubChem CID	78474
EC No.	225-245-2
DTXSID	DTXSID1052117
현지명	에틸트리페닐포스포늄요오드

화학 및 물리적 성질

극성 표면적	0
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	4
무거운 원자 수	22
형식 전하	0
복잡도	247
Physical Description	Dry Powder
녹는점	164-168 °C(lit.)
끓는 점	337 °C
밀도	1.500
증기압	0Pa at 25℃
인화점	226 °C
저장 조건	Keep in dark place,Inert atmosphere,Room temperature
용해도	에 용해됨아세톤, 클로로포름, 디클로로메탄, 메탄올
물리적 상태	가루
색상	노란색
용해도	약간 용해됨
BRN	3659323
InChI	1S/C20H20P.HI/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H31H/q+1/p-1
InChIKey	SLAFUPJSGFVWPP-UHFFFAOYSA-M
SMILES	[I-].CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3
LogP(분배 계수)	0.324
EPA	Phosphonium, ethyltriphenyl-, iodide (4736-60-1)

화학적 성질

Ethyltriphenylphosphonium iodide is white to slightly yellowish crystalline powder

안전 및 규제

F 고인화성물질
GHS 분류	This chemical does not meet GHS hazard criteria for 1.3% (5 of 381) of reports.DangerH300 (26.8%): Fatal if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 381 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: Phosphonium, ethyltriphenyl-, iodidePhosphonium, ethyltriphenyl-, iodide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonium, ethyltriphenyl-, iodide (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 04-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/21537Ethyltriphenylphosphonium iodide: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Acute Tox. 2 (26.8%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
RTECS 번호	TA2312000
운송 번호(UN)	UN 2811 6.1/PG 3
관세 코드	29310095
위험 문구(R)	25-36/38-21-36/37/38-20/21/22
위험 표시	T,Xn
안전 문구(S)	45-36/37/39-28A-26-36
포장분류	III
위험 등급	6.1Acute Tox. 3 OralEye Irrit. 2
기존화학 물질	KE-14079

용도

Ethyltriphenylphosphonium iodide is used as a Wittig reagent and phase transfer catalyst in organic synthesis. It can also be used in asymmetric hydrogenation and to make Bismuth(III) polynuclear complexes.