Cas no 1949-45-7 (Metrizoic acid)

Metrizoic acid structure
Metrizoic acid structure
Product Name:Metrizoic acid
CAS No:1949-45-7
MF:C12H11I3N2O4
MW:627.940160036087
MDL:MFCD00867964
CID:42220
PubChem ID:87573318
Update Time:2025-09-27

Metrizoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Acetamido-2,4,6-triiodo-5-(N-methylacetamido)benzoic acid
    • 3-Acetylamino-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid
    • 3-Acetamido-2,4,6-triiodo-5-N-methylacetamidobenzoic acid
    • Metrizoic Acid
    • 3,5-DiacetaMido-N-Methyl-2,4,6-triiodobenzoic Acid
    • 3-Acetamido-5-(N-methylacetamido)-2,4,6-triiodobenzoic Acid
    • 5-Acetamino-3-<N-acetyl-methylamino>-2.4.6-triiod-benzoesaeure
    • metrizoate
    • Metrizoesaeure
    • Metrizoic
    • Triosil-280
    • Acide metrizoique
    • Acidum metrizoicum
    • Triosil
    • Isopaque
    • METRIZOATE SODIUM
    • Metrizoic Acid [JAN]
    • 3-(acetylamino)-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid
    • CM1N99QR1M
    • 3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodobenzoic acid
    • Benzoic acid, 3-(acetylamino)-5-(acetylmethylamino)-2,4
    • J-012629
    • MFCD00867964
    • 3-Acetamido-2,4, 6-triiodo-5-(N-methylacetamido)benzoate-
    • NSC107431
    • Benzoic acid, 3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodo-
    • UNII-CM1N99QR1M
    • 1949-45-7
    • METRIZOIC ACID [WHO-DD]
    • FT-0672392
    • NS00026356
    • HY-B1699
    • SCHEMBL37641
    • Isopaque 440
    • M1363
    • Sodium 3-acetamido-2,4, 6-triiodo-5-(N-methylacetamido)benzoate
    • CHEBI:34847
    • DTXSID6023311
    • EINECS 217-761-1
    • 3-(Acetylamino)-5-(acetyl(methyl)amino)-2,4,6-triiodobenzoic acid
    • METRIZOIC ACID [ORANGE BOOK]
    • AKOS016846123
    • MLS006010899
    • V08AA02
    • metrizoic-acid
    • METRIZOIC ACID [MI]
    • Z2417556930
    • NCGC00181093-01
    • AS-70791
    • EN300-6731075
    • SR-01000939781
    • D91491
    • BENZOIC ACID, 3-ACETAMIDO-2,4,6-TRIIODO-5-(N-METHYLACETAMIDO)-
    • DB09346
    • Benzoic acid, 3-(acetylamino)-5-(acetylmethylamino)-2,4, 6-triiodo-, monosodium salt
    • 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-benzoic acid
    • SMR001550298
    • Benzoic acid, 3-acetamido-2,4, 6-triiodo-5-(N-methylacetamido)-, monosodium salt
    • SR-01000939781-2
    • MLS004773979
    • 3-ACETAMIDO-2,4,6-TRI-IODO-5-(N-METHYLACETAMIDO)BENZOIC ACID
    • METRIZOIC ACID, METRIZOIC ACID 610.4MG
    • Sodium Metrizoate (USAN)
    • CHEMBL1736
    • 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid
    • CS-0013692
    • METRIZOIC ACID [MART.]
    • BRN 2822724
    • Q6824400
    • BRD-K99241550-001-03-5
    • SBI-0654051.0001
    • GGGDNPWHMNJRFN-UHFFFAOYSA-N
    • 3-(Acetylamino)-5-(acetylmethylamino)-2,4,6-triiodobenzoic Acid; 3-Acetamido-2,4,6-triiodo-5-(N-methylacetamido)benzoic Acid; 3,5-Diacetamido-N-methyl-2,4,6-triiodobenzoic Acid; Metrizoate;
    • Metrizoic acid
    • MDL: MFCD00867964
    • Inchi: 1S/C12H11I3N2O4/c1-4(18)16-10-7(13)6(12(20)21)8(14)11(9(10)15)17(3)5(2)19/h1-3H3,(H,16,18)(H,20,21)
    • InChI Key: GGGDNPWHMNJRFN-UHFFFAOYSA-N
    • SMILES: IC1C(=C(C(C(=O)O)=C(C=1N(C(C)=O)C)I)I)NC(C)=O
    • BRN: 2822724

Computed Properties

  • Exact Mass: 627.78500
  • Monoisotopic Mass: 627.785
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 448
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 1.9
  • Topological Polar Surface Area: 86.7

Experimental Properties

  • Density: 2.5±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 678.8°C at 760 mmHg
  • Flash Point: 364.3±31.5 °C
  • Refractive Index: 1.77
  • PSA: 86.71000
  • LogP: 3.21270
  • Merck: 6156
  • Vapor Pressure: 0.0±2.2 mmHg at 25°C

Metrizoic acid Customs Data

  • HS CODE:2924299090
  • Customs Data:

    China Customs Code:

    2924299090

    Overview:

    2924299090. Other cyclic amides(Including cyclic carbamates)(Including their derivatives as well as their salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Summary:

    2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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