ChemicalBook--->CAS DataBase List--->13421-13-1

13421-13-1

13421-13-1 Structure

13421-13-1 Structure
IdentificationMore
[Name]

4-Chloro-2-iodobenzoic acid
[CAS]

13421-13-1
[Synonyms]

4-CHLORO-2-IODOBENZOIC ACID
BUTTPARK 100\07-49
NISTC13421131
[Molecular Formula]

C7H4ClIO2
[MDL Number]

MFCD00060676
[Molecular Weight]

282.46
[MOL File]

13421-13-1.mol
Chemical PropertiesBack Directory
[Melting point ]

163-167 °C (lit.)
[Boiling point ]

343.8±27.0 °C(Predicted)
[density ]

2.077±0.06 g/cm3(Predicted)
[storage temp. ]

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

soluble in Methanol
[form ]

Crystalline Powder
[pka]

2.63±0.10(Predicted)
[color ]

White to off-white
[InChI]

1S/C7H4ClIO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
[InChIKey]

LRRDANNSUCQNDU-UHFFFAOYSA-N
[SMILES]

OC(=O)c1ccc(Cl)cc1I
[CAS DataBase Reference]

13421-13-1(CAS DataBase Reference)
Safety DataBack Directory
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[WGK Germany ]

3
[HS Code ]

29163990
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

White powder
[Uses]

4-Chloro-2-iodobenzoic acid may be used to synthesize:
  • 6-chloro-3-(4-methoxyphenyl)-1H-isochromen-1-one
  • (Z)-3-benzylidene-5-chloroisobenzofuran-1(3H)-one
  • 6-chloro-3-pentyl-1H-isochromen-1-one
  • 4-chloro-2-iodobenzophenone
[General Description]

4-Chloro-2-iodobenzoic acid is an electron-deficient substituted 2-iodobenzoic acid. It reacts with ynamide to provide the 3,4-disubstituted isocoumarin.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Chloro-2-iodobenzoic acid(13421-13-1)1HNMR
4-Chloro-2-iodobenzoic acid(13421-13-1)IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

13421-13-1(sigmaaldrich)
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