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2-(1H-1,2,3,4-tetrazol-1-yl)acetic acid | 21732-17-2

Product name:2-(1H-1,2,3,4-tetrazol-1-yl)acetic acid

CAS No:21732-17-2
MF:C3H4N4O2
MW:128.09
MDL:MFCD00038813
CID:51861
PubChem ID:543207
CAS No.: 51286-83-0
Introduction
Tetrazolium acetic acid, also known as tetrazolium acetic acid \1h-tetrazolium-1-acetic acid, is mainly used to synthesize cephalosporins, and its downstream products are cefazolin \ ceftizole, etc< Br>
Names and Identifiers
  • 1H-Tetrazole-1-acetic acid
  • Tetrazol-1-acetic acid
  • Tetrazol-1-ylacetic acid
  • 1H-Tetrazolyl-1-Acetic Acid
  • TAA
  • 1-(1H-1,2,3,4-TETRAZOL-1-YL)ACETIC ACID
  • Tetrazol-1-yl-acetic acid
  • 2-(1H-Tetrazol-1-yl)acetic acid
  • 2-(tetrazol-1-yl)acetic acid
  • Tetranitrazoleacetic acid
  • 2-(1H-1,2,3,4-tetrazol-1-yl)acetic acid
  • MDL:MFCD00038813
  • InChIKey:GRWAIJBHBCCLGS-UHFFFAOYSA-N
  • Inchi:1S/C3H4N4O2/c8-3(9)1-7-2-4-5-6-7/h2H,1H2,(H,8,9)
  • SMILES:C(C(=O)O)N1C=NN=N1
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 128.03300
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Rotatable Bond Count: 2
  • Heavy Atom Count: 9
  • Complexity: 116
  • 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
  • XLogP3: -0.7
  • Tautomer Count: nothing
  • Surface Charge: 0

Experimental Properties

  • LogP: -1.24230
  • PSA: 80.90000
  • Melting Point: 127-129°C
  • Color/Form: {"from":"zh","to":"en","trans_result":[{"src":"\u767d\u8272\u7ed3\u6676\u3002","dst":"White crystals."},{"src":"2.\u00a0\u5bc6\u5ea6\uff08g\/mL,25\/4\u2103\uff09","dst":"2. density (g\/ml, 25\/4 \u2103)"}]}
Security Information
  • Safety Term:S26-S36/37/39-S60-S37
  • Safety Instruction:S26; S36/37/39; S60; S37; S36
  • Packing Group:II
  • Packing Group:II
  • Risk Phrases:R36/37/38
  • Tehlikeli mal işareti: Xi Xi
  • Hazardous Material transportation number:407
  • Hazard Statement:Irritant
  • Hazard Category Code:36/37/38-2
  • HazardClass:IRRITANT
Customs Data
  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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