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133232-58-3

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133232-58-3 Structure

133232-58-3 Structure
IdentificationBack Directory
[Name]

4-iodo-2-Methylbenzoic acid
[CAS]

133232-58-3
[Synonyms]

4-iodo-2-Methylbenzoic acid
Benzoic acid, 4-iodo-2-methyl-
[Molecular Formula]

C8H7IO2
[MDL Number]

MFCD14698511
[MOL File]

133232-58-3.mol
[Molecular Weight]

262.04
Chemical PropertiesBack Directory
[Melting point ]

172 °C(Solv: water (7732-18-5))
[Boiling point ]

326.5±30.0 °C(Predicted)
[density ]

1.867±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer, Under inert atmosphere
[solubility ]

Aqueous Base (Slightly), Chloroform (Slightly), DMSO (Slightly)
[form ]

Solid
[pka]

3.70±0.25(Predicted)
[color ]

White to Off-White
[InChI]

InChI=1S/C8H7IO2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,1H3,(H,10,11)
[InChIKey]

KISJQMPHSCFGKR-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC=C(I)C=C1C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Uses]

5-Iodotoluic Acid can be used as 15-PGDH inhibitor to prevent and treat 15-PGDH-related diseases, for instance, fibrosis, inflammation, cardiovascular disease, wound, and auto-immune diseases.
Spectrum DetailBack Directory
[Spectrum Detail]

4-iodo-2-Methylbenzoic acid(133232-58-3)1HNMR
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