아이오도소벤젠

Iodosylbenzene

HCID 92125CAS 536-80-1

기본 정보

표준 SMILES
O=Ic1ccccc1
InChIKey
JYJVVHFRSFVEJM-UHFFFAOYSA-N
분자식
C6H5IO
평균 분자량
220.01 g/mol
단동위원소 질량
219.93851278

개요

oxygen donor

이름 및 식별자

우선 이름
Iodosylbenzene
IUPAC
iodosylbenzene
현지명
아이오도소벤젠
영어명
Iodosobenzene
분자식
C6H5IO
분자량
220.01

이름 및 동의어

IodosobenzeneIodosylbenzene536-80-1Benzene, iodosyl-PhIOTWW7V7Q50PNSC-406477DTXSID1060213RefChem:148562DTXCID1041479208-648-8Benzene, iodoso-
이름 더 보기
아이오도소벤젠iodoso-benzeniodosyl-benzenIodosobenzene>Benzene, iodosyl-Iodosobenzene,>95%Phenyloxoiodine(III)[Oxoiodo(III)]benzenePhenyliodine(III) oxide
MFCD00039507EINECS 208-648-8UNII-TWW7V7Q50PNSC 406477BRN 1923474iodoso benzeneiodosyl-benzeneAI3-03642

데이터베이스 식별자

CAS
536-80-1
PubChem CID
92125
DTXSID
DTXSID1060213
UNII
TWW7V7Q50P
EC Number
208-648-8
Nikkaji
J6.356H

물성

구조 계산 물성

XLogP
2
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
0
무거운 원자 수
8

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Monoaromatics
Vapor Pressure0.7 [mmHg]
Physical DescriptionYellowish solid; [Merck Index] Light yellow powder; [TCI America MSDS]

물리화학적 성질

녹는점
210 °C · 210°C (rough estimate)
밀도
1.8665 · 1.8665 (estimate)
저장 조건
Freezer
수용성
물에 약간 용해됨
용해도
메탄올(약간), TFA(약간)에 용해됨
물리적 상태
powder to crystal
화학적 성질 · 1건

Iodosobenzene is an amorphous yellow substance; it explodes at 210℃, decomposing with the evolution of iodine vapour, and dissolves in hot water and alcohol. If acids do not oxidise C6H5IO, they give saline compounds in which iodosobenzene appears as a basic oxide of a diatomic metal, C6H5I. Thus, for instance, when an acetic acid solution of iodosobenzene is treated with a solution of nitric acid, it gives large monoclinic crystals of a nitric acid salt having the composition C6H5(NO3)2 [like Ca(NO3)2). Iodosobenzene displaces iodine from potassium iodide (in a solution acidulated with acetic or hydrochloric acid)-ie, it acts with its oxygen like HClO. The action of peroxide of hydrogen, chromic acid, and other similar oxidising agents gives C6H5IO2, which is a neutral substance-i.e, is incapable of giving salts with acids.Iodosobenzene is one of the very first oxidants and remains in use because it has excellent oxygen-transfer behavior and mechanistic cleanliness (Hill & Schardt, 1980; Rezaeifard et al., 2007; Potowicz et al., 2006).The Principles of Chemistry Volume 1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H228 (100%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, and P370+P378 (click each P-code to see the statement)

Aggregated GHS information provided per 16 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryIntravenous LD50 (mouse) = 180 mg/kg; [RTECS] An irritant; [TCI America MSDS]
Hazard Classes and CategoriesFlam. Sol. 2 (100%)

안전 데이터

tsca
TSCA listed
rtecs
DA3500000
ridadr
1479
HS 번호
29039990
safety_code
17-36/37/39
포장분류
II

화학 및 산업

용도 및 제조

UsesAn oxidizing agent; [Merck Index]
General Manufacturing InformationBenzene, iodosyl-: ACTIVE
응용 분야 · 1건

용도Oxygen transfer reagent for stiochiometric or catalytic cross-functionalization of alkenes, alcohols, sulfides, and organometallo Compounds.Iodosobenzene is used as an oxidizing and acetoxylating agent in organic synthesis. It is actively involved in the preparation of (Z)-3,7-dimethyl-2,6-octadien-1-al(neral) from (Z)-3,7-dimethyl-2,6-octadien-1-ol (nerol) in presence of 2,2,6,6-tetramethylpiperidin-1-oxyl (TEMPO). It is a useful reagent for the synthesis of a wide variety of heterocyclic compounds. It is also used in the Pd-catalyzed 2-arylation of indoles.

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

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