4-Hydroxy-3-iodobenzoic acid - ≥95% , CAS No.37470-46-5

CAS: 37470-46-5 Cat. No.: H330656 Formula: C₇H₅O₃I Molecular Weight: 264.01

GRADE & PURITY ≥95%

Synonyms

SY041320 | BDBM217399 | CK2246 | 4-Hydroxy-3-iodobenzoic acid (2IPCOOH) | BJZXBZGGLXHODK-UHFFFAOYSA-N | DTXSID50332308 | PS-6264 | A823681 | 3-iodo-4-hydroxy benzoic acid | 4-hydroxy-3-iodobenzoic acid | 4-hydroxy-3-iodo-benzoic acid | 3-IODO-4-HYDROXYBEN

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

SY041320 | BDBM217399 | CK2246 | 4-Hydroxy-3-iodobenzoic acid (2IPCOOH) | BJZXBZGGLXHODK-UHFFFAOYSA-N | DTXSID50332308 | PS-6264 | A823681 | 3-iodo-4-hydroxy benzoic acid | 4-hydroxy-3-iodobenzoic acid | 4-hydroxy-3-iodo-benzoic acid | 3-IODO-4-HYDROXYBEN

Specifications & Purity

≥95%

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504758887
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758887
• Canonical Smiles: C1=CC(=C(C=C1C(=O)O)I)O
• IUPAC Name: 4-hydroxy-3-iodobenzoic acid
• InChIKey: BJZXBZGGLXHODK-UHFFFAOYSA-N
• INCHI: 1S/C7H5IO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)
• Isomeric SMILES: C1=CC(=C(C=C1C(=O)O)I)O
• Molecular Weight: 264.01
• Reaxy-Rn: 2086176
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2086176&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxybenzoic acid derivatives
• Alternative Parents: Halobenzoic acids 3-halobenzoic acids Benzoic acids O-iodophenols Benzoyl derivatives Iodobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl iodides Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzoic acid - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Halobenzoic acid - 3-halobenzoic acid - Benzoic acid - Benzoyl - 2-halophenol - 2-iodophenol - Iodobenzene - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl iodide - Aryl halide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organoiodide - Organohalogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. These are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups.
• External Descriptors: Not available

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

Chemical and Physical Properties

• Sensitivity: light sensitive
• Melt Point(°C): 170-175° C
• Molecular Weight: 264.020 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 263.928 Da
• Monoisotopic Mass: 263.928 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 160.000
• 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