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3-Iodophenol - 98%, high purity , CAS No.626-02-8
Basic Description
Synonyms
AM20040893 | FT-0615907 | 3-Jodphenol [German] | O11023 | AC-18404 | Phenol, 3-iodo- | 3-IODOPHENOL | 3-Iodo-Phenol | MFCD00002261 | SY013740 | J-512701 | PS-7877 | m-Hydroxyiodobenzene | BRN 2039304 | SCHEMBL40269 | 3-Jodphenol | EINECS 210-923-2 | InChI
Specifications & Purity
≥98%
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Halophenols
Intermediate Tree Nodes
Iodophenols
Direct Parent
M-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
3-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
Description
This compound belongs to the class of organic compounds known as m-iodophenols. These are iodophenols carrying a iodine at the C3 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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
504752294
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504752294
IUPAC Name
3-iodophenol
INCHI
InChI=1S/C6H5IO/c7-5-2-1-3-6(8)4-5/h1-4,8H
InChIKey
FXTKWBZFNQHAAO-UHFFFAOYSA-N
Smiles
C1=CC(=CC(=C1)I)O
Isomeric SMILES
C1=CC(=CC(=C1)I)O
WGK Germany
2
RTECS
SL5490000
Molecular Weight
220.01
Beilstein
6(4)1073
Reaxy-Rn
2039304
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2039304&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Slightly soluble in water.
Sensitivity
Light sensitive.
Flash Point(°F)
235.4 °F
Flash Point(°C)
113 °C - closed cup
Boil Point(°C)
190 °C/100 mmHg
Melt Point(°C)
38°C
Molecular Weight
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
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
Citations of This Product
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