Methoxydiphenylphosphine

HCID 77636CAS 4020-99-9

기본 정보

표준 SMILES: COP(c1ccccc1)c1ccccc1
InChIKey: OAADXJFIBNEPLY-UHFFFAOYSA-N
분자식: C13H13OP
평균 분자량: 216.21 g/mol
단동위원소 질량: 216.07040167

이름 및 식별자

우선 이름: Methoxydiphenylphosphine
IUPAC: methoxy(diphenyl)phosphane
영어명: Diphenylmethoxyphosphine
분자식: C13H13OP
분자량: 216.22

이름 및 동의어

MethoxydiphenylphosphineMethyl diphenylphosphiniteEINECS 223-683-9NSC 171167DTXSID80193202RefChem:811807DTXCID50115693223-683-94020-99-9methoxy(diphenyl)phosphaneDiphenylphosphinous Acid Methyl EsterMFCD00048025

이름 더 보기

AURORA KA-1329DIPHENYLMETHOXYPHOSPHINEDiphenylphosphinooxymethaneMethoxydiphenylphosphine>(diphenylmethyl)oxyphosphineMethyl diphenylphosphinite 97%

Phosphinous acid, diphenyl-, methyl estermethoxydiphenylphosphaneSCHEMBL187947Methyl diphenylphosphinite, 97%NSC171167AKOS015905171NSC-171167SY048353

데이터베이스 식별자

CAS: 4020-99-9
PubChem CID: 77636
DTXSID: DTXSID80193202
EC Number: 223-683-9
Nikkaji: J217.833H

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 153

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Phosphite Compounds

Physical DescriptionLiquid; [Alfa Aesar MSDS]

물리화학적 성질

끓는 점: 149 °C6 · 149 °C6 mm Hg(lit.)
밀도: 1.078 g/mL · 1.078 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.604(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
물리적 상태: 액체
Specific Gravity: 1.078 · 1.078
색상: 투명하고 무색에서 아주 약간 노란색을 띤다.
BRN: 1640480 · 1640480
InChI: InChI=1S/C13H13OP/c1-14-15(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
InChIKey: OAADXJFIBNEPLY-UHFFFAOYSA-N
SMILES: P(C1=CC=CC=C1)(C1=CC=CC=C1)OC
NIST: Methyl diphenylphosphinite(4020-99-9)

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Triphenylphosphine. See Dimethyl phenylphosphonite.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
ridadr: UN 2810 6.1/PG 3
HS 번호: 29310099
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-37/39-36
포장분류: III
위험 등급: 6.1
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야 · 1건

용도Ased as:Catalyst for hydroformylative desymmetrization of bisalkenyl carbinols and bishomoallylic carbinolsLigand in rhodium-catalyzed hydroformylation of bishomoallylic alcoholsCalatyst in preparation of γ-lactones via branched-regioselective hydroformylation reactionsLigand for nickel-catalyzed hydrocyanation reactionsCatalyst in annulation reactions