3-Hydroxy-2-iodo-4-methoxybenzaldehyde - ≥95% , CAS No.138490-94-5

CAS: 138490-94-5 Cat. No.: H167150 Summenformel: C₈H₇IO₃ Molekulargewicht: 278.04 EG-Nummer: 626-369-3

GRADE & PURITY ≥95%

Synonyms

Benzaldehyde, 3-hydroxy-2-iodo-4-methoxy- | AM20020459 | AS-47805 | STK399828 | AKOS000313186 | F16201 | SCHEMBL2721648 | 3-Hydroxy-2-iodo-4-methoxybenzaldehyde | 3-hydroxy-2-iodo-4-methoxy-benzaldehyde | 4-Formyl-2-hydroxy-3-iodoanisole | FT-0760260 | 2-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Benzaldehyde, 3-hydroxy-2-iodo-4-methoxy- | AM20020459 | AS-47805 | STK399828 | AKOS000313186 | F16201 | SCHEMBL2721648 | 3-Hydroxy-2-iodo-4-methoxybenzaldehyde | 3-hydroxy-2-iodo-4-methoxy-benzaldehyde | 4-Formyl-2-hydroxy-3-iodoanisole | FT-0760260 | 2-

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

488197348

Kanonisches Lächeln

COC1=C(C(=C(C=C1)C=O)I)O

IUPAC Name

3-hydroxy-2-iodo-4-methoxybenzaldehyde

InChIKey

KLXKKFGRNPBWGM-UHFFFAOYSA-N

INCHI

1S/C8H7IO3/c1-12-6-3-2-5(4-10)7(9)8(6)11/h2-4,11H,1H3

Isomere SMILES

COC1=C(C(=C(C=C1)C=O)I)O

WGK Deutschland

3

Molekulargewicht

278.04

Reaxy-Rn

4862251

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4862251&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Hydroxybenzaldehydes Phenoxy compounds O-iodophenols Methoxybenzenes Benzoyl derivatives Anisoles Iodobenzenes Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Aryl iodides Vinylogous halides Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Hydroxybenzaldehyde - Anisole - Benzaldehyde - Benzoyl - 2-halophenol - Phenoxy compound - 2-iodophenol - Phenol ether - Methoxybenzene - 1-hydroxy-4-unsubstituted benzenoid - Aryl-aldehyde - Alkyl aryl ether - Halobenzene - Iodobenzene - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Vinylogous halide - Ether - Aldehyde - Organohalogen compound - Organoiodide - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 167-174 °C
• Molekulargewicht: 278.040 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 277.944 Da
• Monoisotopic Mass: 277.944 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 162.000
• 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