CAS 210169-54-3 4,4'-Bi-1,3-benzodioxole-5,5'-diylbis(diphenylphosphine) (HCID 11017510)

기본 정보

CAS: 210169-54-3
표준 SMILES: c1ccc(P(c2ccccc2)c2ccc3c(c2-c2c(P(c4ccccc4)c4ccccc4)ccc4c2OCO4)OCO3)cc1
InChIKey: RZZDRSHFIVOQAF-UHFFFAOYSA-N
분자식: C38H28O4P2
평균 분자량: 610.6 g/mol
단동위원소 질량: 610.14628337

이름 및 식별자

우선 이름: 4,4'-Bi-1,3-benzodioxole-5,5'-diylbis(diphenylphosphine)
IUPAC: [4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane
현지명: (S)-(-)-5,5'-비스(디페닐포스피노)-4,4'-비-1,3-벤조디옥솔
영어명: (S)-5,5'-Bis(diphenylphosphino)-4,4'-bi-1,3-benzodioxole
분자식: C38H28O4P2
분자량: 610.57

이름 및 동의어

210169-54-34,4'-Bi-1,3-benzodioxole-5,5'-diylbis(diphenylphosphine)RefChem:506517811-741-1244261-66-3SEGPHOS(R)-SEGPHOS(S)-SEGPHOS(R)-5,5'-Bis(diphenylphosphino)-4,4'-bibenzo[d][1,3]dioxole244261-75-4(S)-(-)-SEGPHOS(R)-(+)-5,5'-BIS(DIPHENYLPHOSPHINO)-4,4'-BI-1,3-BENZODIOXOLE

이름 더 보기

(S)-(-)-5,5'-비스(디페닐포스피노)-4,4'-비-1,3-벤조디옥솔(±)-SegPhos(S)-SEGPHOS(R)(S)-SEGPHOS(R) >=94%(S)-(-)-SEGPHOS(regR)(S)-(-)-SEGPHOS(S)-(-)-SEGPHOS(S)-SEGPHOS?-bi-1,3-benzodioxole,(S)-(-)-SEGPHOS(S)-5,5'-Bis(diphenylphosphino)-4,4'-bibenzodioxole(S)-5,5'-bis(diphenylphosphino)-4,4'-di-1,3-benzenebenzodi

(R)-(+)-SEGPHOS5,5'-Bis(diphenylphosphino)-4,4'-bibenzo[d][1,3]dioxole(S)-(-)-5,5'-BIS(DIPHENYLPHOSPHINO)-4,4'-BI-1,3-BENZODIOXOLE(S)-5,5'-Bis(diphenylphosphino)-4,4'-bi-1,3-benzodioxole(S)-DM-SEGPHOSMFCD09753005[4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane5,5'-Bis(diphenylphosphino)-4,4'-bi-1,3-benzodioxole

물성

구조 계산 물성

XLogP: 8.5
극성 표면적: 36.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 7
무거운 원자 수: 44
형식 전하: 0
복잡도: 787

물리화학적 성질

녹는점: 231 · 231-235 °C
끓는 점: 715.4 · 715.4±60.0 °C(Predicted)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 가루
색상: 회백색
InChIKey: RZZDRSHFIVOQAF-UHFFFAOYSA-N
SMILES: C1(C2OCOC=2C=CC=1P(C1C=CC=CC=1)C1=CC=CC=C1)C1C2OCOC=2C=CC=1P(C1=CC=CC=C1)C1=CC=CC=C1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

안전 데이터

wgk: 3
HS 번호: 2932.99.7000
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도(S)-(-)-SEGPHOS is a chelating ligand used to prepare coordination complex catalysts, such as its use in Pd catalysts for the enantioselective synthesis of spiro- or benzofused hetereocycles with exocyclic olefins via enantioselective intramolecular dearomative Heck reaction of indoles, benzofurans, pyrroles and furans.