2-Iodophenol - ≥98% , CAS No.533-58-4

CAS: 533-58-4 Cat. No.: I107036 분자식: C₆H₅OI 분자량: 220.01 EC 번호: 208-569-9

GRADE & PURITY ≥98%

Synonyms

O-IODOPHENOL [MI] | 2-iodanylphenol | DTXSID5052175 | Phenol, o-iodo- | 2-IODOPHENOL | 2-iodo-phenol | 6X8 | EN300-39648 | 4-06-00-01070 (Beilstein Handbook Reference) | WLN: QR BI | 2-Iodophenol (2IP) | J-200045 | AKOS009156984 | EINECS 208-569-9 | STL28

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

개요

Rapid palladium-catalyzed carbonylative cyclization reactions of 2-iodophenol with various alkyne under microwave irradiation using Mo(CO)6 as the CO source has been investigated.
It was used in the synthesis of: aryl 2-benzofuranyl and aryl 2-indolyl carbinols of high enantiomeric purity; 3,3-disubstituted-2,3-dihydrobenzofuran.

Specifications

동의어

O-IODOPHENOL [MI] | 2-iodanylphenol | DTXSID5052175 | Phenol, o-iodo- | 2-IODOPHENOL | 2-iodo-phenol | 6X8 | EN300-39648 | 4-06-00-01070 (Beilstein Handbook Reference) | WLN: QR BI | 2-Iodophenol (2IP) | J-200045 | AKOS009156984 | EINECS 208-569-9 | STL28

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Protected from light,Argon charged

배송

Wet ice

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순수함

≥98%

이름과 식별자

• Pubchem Sid: 504752001
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752001
• 정식 스마일: C1=CC=C(C(=C1)O)I
• IUPAC Name: 2-iodophenol
• InChIKey: KQDJTBPASNJQFQ-UHFFFAOYSA-N
• INCHI: 1S/C6H5IO/c7-5-3-1-2-4-6(5)8/h1-4,8H
• 이성체 SMILES: C1=CC=C(C(=C1)O)I
• WGK 독일: 3
• RTECS: SL5500000
• UN 번호: 2811
• 분자량: 220.01
• Reaxy-Rn: 1855300
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1855300&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Iodophenols
• Direct Parent: O-iodophenols
• Alternative Parents: Iodobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl iodides Organooxygen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2-iodophenol - 1-hydroxy-4-unsubstituted benzenoid - 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 o-iodophenols. These are iodophenols carrying a iodine at the C2 position of the benzene ring.
• External Descriptors: an iodoaromatic compound

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solubility in water: slightly soluble Solubility in other solvents: soluble in ethanol and ether
• 감도: Light & air Sensitive
• 발화점(°F): 235.4 °F
• 발화점(°C): 113 °C
• 끓는점(°C): 186-187°C
• 녹는점(°C): 37-43°C
• 분자량: 220.010 g/mol
• XLogP3: 2.600
• 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: 74.900
• 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

참고 문헌

1. Li Zhijun, Zhang Mingyang, Zhang Lili, Dong Xiuli, Leng Leipeng, Horton J. Hugh, Wang Jun.  (2021)  Engineering the atomic interface of porous ceria nanorod with single palladium atoms for hydrodehalogenation reaction.  Nano Research,  15  (2): (1338-1346).  [PMID:] [10.1007/s12274-021-3662-y]

2. Jing Liu, Jing Wang, Jie Zhang, Yang Mu.  (2019)  Iodo-trihalomethanes formation during chlorination and chloramination of iodide-containing waters in the presence of Cu2+.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:30928739] [10.1016/j.scitotenv.2019.03.356]

3. Yang Ruilin, Wang Ping, Guan Xinhui, Gu Xiaofei, Qiao Xiaoqiang.  (2025)  Exploiting metal-free atom transfer radical polymerization for fabrication of styrene-maleic acid polymer-brush grafting chromatographic stationary phase and its separation performances for phospholipids.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,      [PMID:40781368] [10.1007/s00216-025-06053-1]

4. Pengjia Sun, Ping Sun, Yingsen Fang, Hui Liu, Bitao Xiong, Hui Wang, Xingao Li.  (2023)  Enhanced degradation of bisphenol S in water using a combination process of electrochemical oxidation with periodate activation.  Journal of Water Process Engineering,      [PMID:] [10.1016/j.jwpe.2023.104203]

5. Pengjia Sun, Jian Xiong, Ping Sun, Yingsen Fang, Hongxia Liu, Hui Liu, Bitao Xiong, Hui Wang, Xing'ao Li.  (2023)  Additional O doping significantly improved the catalytic performance of Mn/O co-doped g-C3N4 for activating periodate and degrading organic pollutants.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2023.125593]

6. Yuqing Feng, Hongxia Liu, Yongxing Shang, Yingsen Fang, Shumei Gao, Ping Sun, Bitao Xiong, Hui Wang, Hui Liu, Mingbao Feng.  (2026)  Single-atomic Fe−N3C sites with optimized oxophilicity for high-efficiency periodate activation toward pollutant abatement via preferential 1O2.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2026.126445]