에틸트리페닐포스포늄요오드

Ethyltriphenylphosphonium iodide

HCID 78474CAS 4736-60-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIKey: SLAFUPJSGFVWPP-UHFFFAOYSA-M
분자식: C20H20P.I
평균 분자량: 418.2 g/mol
단동위원소 질량: 418.03473527

이름 및 식별자

우선 이름: Ethyltriphenylphosphonium iodide
IUPAC: ethyl(triphenyl)phosphanium iodide
현지명: 에틸트리페닐포스포늄요오드
영어명: Ethyltriphenylphosphonium iodide
분자식: C20H20P.I
분자량: 418.25

이름 및 동의어

Ethyltriphenylphosphonium iodidePhosphonium, ethyltriphenyl-, iodidePhenylphosphonium ethyl iodideETPPITriphenylethylphosphonium iodideHishicolin ETPPIUNII-XXZ2V239JNEINECS 225-245-2XXZ2V239JNethyl(triphenyl)phosphonium iodidePhosphonium, ethyltriphenyl-, iodide (1:1)DTXSID1052117

이름 더 보기

아이오딘화에틸트라이페닐포스포늄에틸트리페닐포스포늄요오드아이오딘화에틸트라이페닐포스포늄아이오딘화 에틸트라이페닐포스포늄페닐포스포늄 에틸 아이오디드에틸트리페닐포스포늄요오다이드EPJ[Ph3EP]IEthyl triphenyleTriphenylethyl iodidephenylphosphoniumethyliodideethyltriphenylphosphine iodideTriphenylethylphosphine iodideEthyltriphenylphosphoniuM iodid

J263.335CRefChem:139213DTXCID3030686225-245-24736-60-1ethyl triphenylphosphonium iodideMFCD00040352C20H20IP

데이터베이스 식별자

CAS: 4736-60-1
PubChem CID: 78474
DTXSID: DTXSID1052117
UNII: XXZ2V239JN
EC Number: 225-245-2

물성

구조 계산 물성

극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 4
무거운 원자 수: 22
형식 전하: 0
복잡도: 247

실험 및 물리화학적 성질

Physical DescriptionDry Powder

물리화학적 성질

녹는점: 164 · 164-168 °C(lit.)
끓는 점: 337 °C · 337 °C
밀도: 1.5 · 1.500
증기압: 0 Pa · 0Pa at 25℃
인화점: 226 °C · 226 °C
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 에 용해됨아세톤, 클로로포름, 디클로로메탄, 메탄올
물리적 상태: 가루
색상: 노란색
수용성: 약간 용해됨
BRN: 3659323 · 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,2H2,1H3;1H/q+1;/p-1
InChIKey: SLAFUPJSGFVWPP-UHFFFAOYSA-M
SMILES: [I-].CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3
LogP: 0.324 · 0.324
EPA: Phosphonium, ethyltriphenyl-, iodide (4736-60-1)

화학적 성질

Ethyltriphenylphosphonium iodide is white to slightly yellowish crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 1.3% (5 of 381) of reports.

Danger

H300 (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.

유해성 정보

Regulatory Information · 4건

Chemical: Phosphonium, ethyltriphenyl-, iodide

Phosphonium, 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/21537

Ethyltriphenylphosphonium iodide: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 2 (26.8%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: TA2312000
ridadr: UN 2811 6.1/PG 3
HS 번호: 29310095
risk_code: 25-36/38-21-36/37/38-20/21/22
hazard_code: T,Xn
safety_code: 45-36/37/39-28A-26-36
포장분류: III
위험 등급: 6.1
기존화학 물질: KE-14079
F 고인화성물질: 3-8-10
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

용도 및 제조

U.S. Production2023: 79,919 lb

Industry UsesCatalyst

General Manufacturing Information · 2건

Paint and Coating Manufacturing

Phosphonium, ethyltriphenyl-, iodide (1:1): ACTIVE

응용 분야

용도Ethyltriphenylphosphonium 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.