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5398-69-6

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5398-69-6 Structure

5398-69-6 Structure
IdentificationBack Directory
[Name]

2-iodo-3-nitro-benzoic acid
[CAS]

5398-69-6
[Synonyms]

Benzoic acid, 2-iodo-3-nitro-
2-Iodo-3-nitrobenzoic acid 95%
4-[4-[bis(2-chloroethyl)amino]phenyl]-N-(4-bromophenyl)butanamide
[Molecular Formula]

C7H4INO4
[MDL Number]

MFCD00277941
[MOL File]

5398-69-6.mol
[Molecular Weight]

293.02
Chemical PropertiesBack Directory
[Melting point ]

207-212°C
[Boiling point ]

385.6±37.0 °C(Predicted)
[density ]

2.156±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[form ]

solid
[pka]

1.86±0.20(Predicted)
[color ]

Light yellow
[InChI]

InChI=1S/C7H4INO4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,(H,10,11)
[InChIKey]

XWOGTRRVKVPJSP-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC=CC([N+]([O-])=O)=C1I
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 Codes ]

Xn
[Risk Statements ]

22
[WGK Germany ]

3
[HS Code ]

2916399090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Spectrum DetailBack Directory
[Spectrum Detail]

2-iodo-3-nitro-benzoic acid(5398-69-6)1HNMR
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