ChemicalBook--->CAS DataBase List--->137553-42-5

137553-42-5

137553-42-5 Structure

137553-42-5 Structure
IdentificationMore
[Name]

2-FLUORO-4-IODOBENZONITRILE
[CAS]

137553-42-5
[Synonyms]

2-FLUORO-4-IODOBENZONITRILE
2-Fluoro-4-iodobenzonitrile 98%
2-Fluoro-4-iodobenzonitrile98%
4-Iodo-2-fluorobenzonitrile
[EINECS(EC#)]

604-024-8
[Molecular Formula]

C7H3FIN
[MDL Number]

MFCD03094172
[Molecular Weight]

247.01
[MOL File]

137553-42-5.mol
Chemical PropertiesBack Directory
[Melting point ]

103.7-104.6
[Boiling point ]

264.0±25.0 °C(Predicted)
[density ]

1.98±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

DMF: 30 mg/ml,DMSO: 30 mg/ml,Ethanol: 30 mg/ml,Ethanol:PBS (pH 7.2) (1:5): 0.16 mg/ml
[form ]

Powder
[color ]

Red-brown
[Water Solubility ]

Slightly soluble in water.
[Sensitive ]

Light Sensitive
[CAS DataBase Reference]

137553-42-5(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

T,Xi
[RIDADR ]

UN3439
[Hazard Note ]

Toxic
[HazardClass ]

6.1
[HazardClass ]

IRRITANT, IRRITANT-HARMFUL
[HS Code ]

2926907090
Hazard InformationBack Directory
[Description]

2-Fluoro-4-iodo benzonitrile is a building block. It has been used in the synthesis of L. infantum trypanothione reductase (Li-TryR) dimerization and oxidoreductase activity inhibitors. 2-Fluoro-4-iodo benzonitrile has also been used in the synthesis of transient receptor potential ankyrin 1 (TRPA1) antagonists.
[Chemical Properties]

Light yellow crystalline
[Uses]

Used as pharmaceutical intermediates.
[References]

[1] ALEJANDRO REVUELTO. Pyrrolopyrimidine vs Imidazole-Phenyl-Thiazole Scaffolds in Nonpeptidic Dimerization Inhibitors of Leishmania infantum Trypanothione Reductase[J]. ACS Infectious Diseases, 2019, 5 6: 873-891. DOI: 10.1021/acsinfecdis.8b00355
[2] KARL S.A. VALLIN . N-1-Alkyl-2-oxo-2-aryl amides as novel antagonists of the TRPA1 receptor[J]. Bioorganic & Medicinal Chemistry Letters, 2012, 22 17: Pages 5485-5492. DOI: 10.1016/j.bmcl.2012.07.032
Spectrum DetailBack Directory
[Spectrum Detail]

2-FLUORO-4-IODOBENZONITRILE(137553-42-5)1HNMR
2-FLUORO-4-IODOBENZONITRILE(137553-42-5)1HNMR
2-FLUORO-4-IODOBENZONITRILE(137553-42-5)FT-IR
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