4-Iodophenol

HCID 10894CAS 540-38-5
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기본 정보

표준 SMILES
Oc1ccc(I)cc1
InChIKey
VSMDINRNYYEDRN-UHFFFAOYSA-N
분자식
C6H5IO
평균 분자량
220.01 g/mol
단동위원소 질량
219.93851278

개요

4-iodophenol is an iodophenol.

이름 및 식별자

우선 이름
4-Iodophenol
IUPAC
4-iodophenol
현지명
4-요오드페놀
영어명
4-Iodophenol
분자식
C6H5IO
분자량
220.01

이름 및 동의어

4-IODOPHENOL540-38-5p-Iodophenol4-Hydroxyphenyl iodidep-Hydroxyiodobenzenepara-iodophenolDTXSID4052186BH194BAK0BNSC-91464DTXCID4030756CHEBI:43521RefChem:99468
이름 더 보기
4-요오드페놀4-lodophenoIp-iodo-pheno4-iodo-pheno4-Iodophenol99%I**4-Iodophenol
208-745-5Phenol, 4-iodo-Phenol, p-iodo-MFCD000023274-iodo-phenol4-Hydroxyiodobenzenep-JodphenolIOL

데이터베이스 식별자

CAS
540-38-5
PubChem CID
10894
DTXSID
DTXSID4052186
ChEMBL
CHEMBL56475
ChEBI
CHEBI:43521
UNII
BH194BAK0B
EC Number
208-745-5
Nikkaji
J53.759D

물성

구조 계산 물성

XLogP
2.9
극성 표면적
20.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
0
무거운 원자 수
8

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Phenols
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Vapor Pressure0.00616 [mmHg]
Physical DescriptionWhite or reddish solid; [Merck Index] Light beige crystalline solid; [Alfa Aesar MSDS]
Collision Cross Section124.5 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID4052186]

물리화학적 성질

녹는점
92 · 92-94 °C(lit.)
끓는 점
138 °C5 · 138 °C5 mm Hg(lit.)
밀도
1.8573 · 1.8573
인화점
138 °C/5mm · 138°C/5mm
저장 조건
Refrigerator
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)

화학적 성질

Light brown powder. It dissolves slightly in water, but readily dissolves in ethanol, ether, and other organic solvents.

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 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 Phenol. See 4-Fluorophenol.
Hazard Classes and CategoriesAcute Tox. 4 (87.5%)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
SL5600000
ridadr
UN 3261 8/PG 3
HS 번호
29081900
risk_code
21/22-34-36/37/38-20/21/22

화학 및 산업

약리 정보

Metabolism/Metabolites4-Iodophenol has known human metabolites that include (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(4-iodophenoxy)oxane-2-carboxylic acid.

용도 및 제조

General Manufacturing InformationPhenol, 4-iodo-: ACTIVE
응용 분야 · 1건

용도4-Iodophenol is used in chemiluminescence imaging assays and experiments, as diagnostic agents in order to detect cancer cells in patients. It is also utilized in synthesizing agonists for the estrogen β receptor. Additionally, The compound finds extensive applications in various medical industries as well as in human and animal nutrition products such as pharmaceutical intermediates, and polarizing films for Liquid Crystal Display (LCD) chemicals.

제조 방법

It is obtained from 4-Aminophenol by diazotisation and substitution.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

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