3,5-Diacetamido-2,4,6-triiodobenzoic acid dihydrate | CAS No. 50978-11-5

3,5-Diacetamido-2,4,6-triiodobenzoic acid dihydrate

Basic Information

CAS Number

50978-11-5

Molecular Formula

C11H13I3N2O6

Molecular Weight

649.95 g/mol

AD

Basic Physical Properties

Melting Point

dec. 288°C

O=C(O)C1=C(I)C(NC(C)=O)=C(I)C(NC(C)=O)=C1I.[H]O[H].[H]O[H]

InChI

InChI=1S/C11H9I3N2O4.2H2O/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;;/h1-2H3,(H,15,17)(H,16,18)(H,19,20);2*1H2

InChIKey

JHQKUXXJPHSPOL-UHFFFAOYSA-N

LogP

1.466000000000001

Topological Polar Surface Area

158.5 Ų

Hydrogen Bond Donor/Acceptor

7 / 8

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • 3,5-Diacetamido-2,4,6-triiodobenzoic acid
  • Diatrizoic acid dehydrate
  • Amidotrizoic Acid Dihydrate
  • Diatrizoic Acid
  • 3,5-DIACETAMIDO-2,4,6-TRIIODOBENZIOCACID
  • Amidotrizoic acid
  • DIATRIZOIC ACID DIHYDRATE
  • DIATRIZOIC ACID USP
  • DIATRIZOICACID,DIHYDRATE,USP
  • DIAZTRIZOICACID,DIHYDRATE
  • 3,5-Bis(acetylamino)-2,4,6-triiodobenzoic acid dihydrate

MDL Number

MFCD00069960

Customs Code

2924299090

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