(Cyanomethyl)triphenylphosphonium chloride

HCID 197040

노트 반응

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기본 정보

CAS: 4336-70-3
표준 SMILES: N#CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIKey: ARPLQAMUUDIHIT-UHFFFAOYSA-M
분자식: C20H17ClNP
평균 분자량: 337.8 g/mol
단동위원소 질량: 337.07871385

이름 및 식별자

우선 이름: (Cyanomethyl)triphenylphosphonium chloride
IUPAC: cyanomethyl(triphenyl)phosphanium chloride
영어명: (CYANOMETHYL)TRIPHENYLPHOSPHONIUM CHLORIDE
분자식: C20H17ClNP
분자량: 337.78

이름 및 동의어

(Cyanomethyl)triphenylphosphonium chloride4336-70-3Phosphonium, (cyanomethyl)triphenyl-, chlorideEINECS 224-383-0NSC 921743L55T65L7UNSC-92174PHOSPHONIUM, (CYANOMETHYL)TRIPHENYL-, CHLORIDE (1:1)RefChem:69899224-383-0CYANOMETHYL TRIPHENYLPHOSPHONIUM CHLORIDE(Cyanomethyl)triphenylphosphoniumChloride

이름 더 보기

Cyanomethyl triphenylphosphcyanomethyl(triphenyl)phosphanium(Cyanmethyl)triphenylphosphoniumchlorid(cyanomethyl)triphenyl-phosphoniuchlorideTriphenyl(cyanomethyl)phosphonium·chlorideCyanomethyl triphenylphosphonium chloride,97%2-(chlorotriphenyl-l5-phosphanyl)acetonitrile(Cyanomethyl)triphenylphosphonium Chloride >

MFCD00031672cyanomethyl(triphenyl)phosphanium;chlorideCYANOMETHYLTRIPHENYLPHOSPHONIUM CHLORIDEC20H17ClNPSCHEMBL666994UNII-3L55T65L7UWLN: NC1PR&R&R &GDTXSID00962997

데이터베이스 식별자

CAS: 4336-70-3
PubChem CID: 197040
DTXSID: DTXSID00962997
UNII: 3L55T65L7U
EC Number: 224-383-0

물성

구조 계산 물성

극성 표면적: 23.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 23
형식 전하: 0
복잡도: 332

물리화학적 성질

녹는점: 268 · 268-270 °C
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 고체
색상: 흰색에서 거의 흰색
수용성: 물에 거의 녹지 않음
BRN: 6222047 · 6222047
InChI: 1S/C20H17NP.ClH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,17H2;1H/q+1;/p-1
InChIKey: ARPLQAMUUDIHIT-UHFFFAOYSA-M
SMILES: [Cl-].N#CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3

화학적 성질

off-white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.7%)

안전 데이터

wgk: 3
rtecs: TA2075000
ridadr: 3276
HS 번호: 29319090
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 37/39-26
포장분류: III
위험 등급: 6.1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Reactant involved in:Condenation reactionsWittig reactionsSynthesis of phosphonium-iodonium ylidesPreparation of α,β-unsaturated esters, amides, and nitriles