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  2. 39622-79-2
2-aminobenzene-1,3-dicarboxylic acid | 39622-79-2

Product name:2-aminobenzene-1,3-dicarboxylic acid

CAS No:39622-79-2
MF:C8H7NO4
MW:181.1455
MDL:MFCD00817808
CID:821489
PubChem ID:292916
Names and Identifiers
  • 2-Aminoisophthalic acid
  • 2-AMINOBENZENE-1,3-DICARBOXYLIC ACID
  • 1,3-BENZENEDICARBOXYLIC ACID, 2-AMINO-
  • 2-aminoisophthalicacid
  • 2,6-Dicarboxy aniline
  • aminoisophthalic acid
  • NSC159117
  • o-aminoisophthalic acid
  • 2-amino-isophthalic acid
  • KSC224A7T
  • LDOMKUVUXZRECL-UHFFFAOYSA-N
  • WT379
  • WT003
  • STL554162
  • CL8021
  • SBB089768
  • BBL100368
  • AS06165
  • MB01489
  • WT82198
  • CM13814
  • AM83
  • 2-aminobenzene-1,3-dicarboxylic acid
  • MDL:MFCD00817808
  • InChIKey:LDOMKUVUXZRECL-UHFFFAOYSA-N
  • Inchi:1S/C8H7NO4/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)
  • SMILES:O([H])C(C1C([H])=C([H])C([H])=C(C(=O)O[H])C=1N([H])[H])=O
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 181.15g/mol
  • Surface Charge: 0
  • XLogP3: 0.8
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Rotatable Bond Count: 2
  • Monoisotopic Mass: 181.037508g/mol
  • Monoisotopic Mass: 181.037508g/mol
  • Topological Polar Surface Area: 101Ų
  • Heavy Atom Count: 13
  • Complexity: 206
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • Tautomer Count: 3
  • Surface Charge: 0

Experimental Properties

  • LogP: 1.24640
  • PSA: 100.62000
  • Refractive Index: 1.5468 (estimate)
  • Boiling Point: 429.7℃ at 760 mmHg
  • Melting Point: 312-315°C
  • Flash Point: 213.685℃
  • Density: 1.4283 (rough estimate)
Security Information
  • Safety Instruction:26-36/37/39
  • Hazard Category Code:36/37/38
Customs Data
  • HS CODE:2922499990
  • Customs Data:

    China Customs Code:

    2922499990

    Overview:

    2922499990 Other amino acids and their esters and their salts(Except those containing more than one oxygen-containing group). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods) MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    P.Imported animals and plants\Quarantine of animal and plant products
    Q.Outbound animals and plants\Quarantine of animal and plant products
    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

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