4-요오도페놀 - ≥98% , CAS No.540-38-5

CAS: 540-38-5 Cat. No.: I107037 분자식: C₆H₅IO 분자량: 220.01 Beilstein Registry Number: 1904544 EC 번호: 208-745-5

등급 & 순도 ≥98%

Synonyms

UNII-BH194BAK0B | CAS-540-38-5 | 4-하이드록시페닐요오드화물 | 4-아이오도페놀, 푸룸, >=98.0% (GC) | CCRIS 668 | 4-하이드록시아도벤젠 | 파라아이오도페놀 | 파라아이오도페놀 | 파라아이오도페놀 | SCHEMBL5514 | EN300-21417 | p아이오도페놀 | p-이오도페놀 | P-IODOPHENOL

Storage

빛으로부터 보호

Shipped In

보통

개요

제품 응용 분야:

4-요오도페놀은 합성을 위한 합성 블록으로 사용됩니다:
하이드 록시 생체 화합물은 PD 촉매 스즈키-미야우라 결합 반응과 아릴보르산에 의해 생성됩니다.
아릴 치환 알켄은 아크릴산염과의 PD 촉매 Heck 반응에 의해 생성됩니다.
요오드화물 - 4-아록시메틸 쿠마린.
하이드 록시 스틸벤 및 프사 마플 리센 A 및 B.

사양

동의어

UNII-BH194BAK0B | CAS-540-38-5 | 4-하이드록시페닐요오드화물 | 4-아이오도페놀, 푸룸, >=98.0% (GC) | CCRIS 668 | 4-하이드록시아도벤젠 | 파라아이오도페놀 | 파라아이오도페놀 | 파라아이오도페놀 | SCHEMBL5514 | EN300-21417 | p아이오도페놀 | p-이오도페놀 | P-IODOPHENOL

사양 및 순도

≥98%

보관 조건

빛으로부터 보호

배송

보통

순수함

≥98%

이름과 식별자

Pubchem Sid

488181216

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181216

정식 스마일

C1=CC(=CC=C1O)I

IUPAC Name

4-iodophenol

InChIKey

VSMDINRNYYEDRN-UHFFFAOYSA-N

INCHI

1S/C6H5IO/c7-5-1-3-6(8)4-2-5/h1-4,8H

이성체 SMILES

C1=CC(=CC=C1O)I

WGK 독일

3

RTECS

SL5600000

UN 번호

3261

분자량

220.01

Beilstein

1904544

Reaxy-Rn

1904544

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1904544&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenols
      • Subclass Halophenols
        • Level5 Iodophenols
          • Level6 P-iodophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Iodophenols
• Direct Parent: P-iodophenols
• Alternative Parents: Iodobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl iodides Organooxygen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-iodophenol - 1-hydroxy-2-unsubstituted benzenoid - Iodobenzene - Halobenzene - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as p-iodophenols. These are iodophenols carrying a iodine at the C4 position of the benzene ring.
• External Descriptors: iodophenol

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

관련 대상(인간)

ALB Tchem Serum albumin (2651 Activities)

Discover Target: ALB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CCRF-CEM (65223 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

L1210 (27553 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in alcohol and ether. Slightly soluble in water.
• 감도: Light sensitive.
• 끓는점(°C): 138 °C/5 mmHg
• 녹는점(°C): 89-94°C
• 분자량: 220.010 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 219.939 Da
• Monoisotopic Mass: 219.939 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 66.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1