Cas no 881668-70-8 (5-Chloro-1H-pyrazole-3-carboxylic acid)

5-Chloro-1H-pyrazole-3-carboxylic acid structure
881668-70-8 structure
Product Name:5-Chloro-1H-pyrazole-3-carboxylic acid
CAS No:881668-70-8
MF:C4H3ClN2O2
MW:146.531819581985
MDL:MFCD09608056
CID:710287
PubChem ID:44607726
Update Time:2024-10-26

5-Chloro-1H-pyrazole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-chloro-1H-Pyrazole-3-carboxylic acid
    • 5-Chloropyrazole-3-carboxylic Acid
    • 1H-Pyrazole-3-carboxylicacid, 5-chloro-
    • QC-4470
    • 1H-Pyrazole-3-carboxylic acid, 5-chloro-
    • AK112708
    • 5-Chloropyrazole-3-carboxylicAcid
    • PubChem23727
    • MOTPCOWWOZSEHC-UHFFFAOYSA-N
    • FCH965399
    • TRA0028335
    • SB12158
    • 3-chloro-1H-pyrazole-5-carboxylic acid
    • SY029998
    • AX8103234
    • Y4463
    • ST24044584
    • Z-
    • 5-Chloro-1H-pyrazole-3-carboxylic acid (ACI)
    • 881668-70-8
    • J-517251
    • 1073469-06-3
    • SCHEMBL2763015
    • CS-W003620
    • DB-077203
    • DS-5758
    • MFCD09608056
    • DTXSID60659679
    • AC-28860
    • SCHEMBL15648169
    • AKOS006377877
    • 5-Chloro-1H-pyrazole-3-carboxylic acid
    • MDL： MFCD09608056
    • Inchi： 1S/C4H3ClN2O2/c5-3-1-2(4(8)9)6-7-3/h1H,(H,6,7)(H,8,9)
    • InChI Key： MOTPCOWWOZSEHC-UHFFFAOYSA-N
    • SMILES： O=C(C1C=C(Cl)NN=1)O

Computed Properties

  • Exact Mass: 145.98800
  • Monoisotopic Mass: 145.988
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 130
  • 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
  • Topological Polar Surface Area: 66
  • Surface Charge: 0
  • Tautomer Count: 4
  • XLogP3: 1

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.715
  • Melting Point: No data available
  • Boiling Point: 445.6°C at 760 mmHg
  • Flash Point: 223.305 °C
  • PSA: 65.98000
  • LogP: 0.76130
  • Vapor Pressure: No data available

5-Chloro-1H-pyrazole-3-carboxylic acid Security Information

5-Chloro-1H-pyrazole-3-carboxylic acid Customs Data

  • HS CODE：2933199090
  • Customs Data：

    China Customs Code:

    2933199090

    Overview:

    2933199090. Other structurally non fused pyrazole ring compounds. 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:

    2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

5-Chloro-1H-pyrazole-3-carboxylic acid Pricemore >>

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ChemScence
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5-Chloro-1H-pyrazole-3-carboxylic acid
 881668-70-8 99.83%
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5-Chloro-1H-pyrazole-3-carboxylic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium methoxide Solvents: Methanol ;  45 min, rt
2.1 Reagents: Permanganic acid (HMnO4), potassium salt (1:1) Solvents: tert-Butanol ,  Water ;  70 °C
Reference
3-Substituted pyrazoles and 4-substituted triazoles as inhibitors of human 15-lipoxygenase-1
Pelcman, Benjamin; et al, Bioorganic & Medicinal Chemistry Letters, 2015, 25(15), 3024-3029

Production Method 2

Reaction Conditions
1.1 Reagents: Pyridine ,  Hydrochloric acid ;  2 h, 200 °C
2.1 Reagents: Permanganic acid (HMnO4), potassium salt (1:1) Solvents: tert-Butanol ,  Water ;  70 °C
Reference
3-Substituted pyrazoles and 4-substituted triazoles as inhibitors of human 15-lipoxygenase-1
Pelcman, Benjamin; et al, Bioorganic & Medicinal Chemistry Letters, 2015, 25(15), 3024-3029

Production Method 3

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran
1.2 Reagents: Hexachloroethane ;  10 min, -78 °C
1.3 Reagents: Sodium methoxide Solvents: Methanol ;  45 min, rt
2.1 Reagents: Permanganic acid (HMnO4), potassium salt (1:1) Solvents: tert-Butanol ,  Water ;  70 °C
Reference
3-Substituted pyrazoles and 4-substituted triazoles as inhibitors of human 15-lipoxygenase-1
Pelcman, Benjamin; et al, Bioorganic & Medicinal Chemistry Letters, 2015, 25(15), 3024-3029

Production Method 4

Reaction Conditions
1.1 Reagents: Sodium hydroxide
Reference
3-Substituted pyrazoles and 4-substituted triazoles as inhibitors of human 15-lipoxygenase-1
Pelcman, Benjamin; et al, Bioorganic & Medicinal Chemistry Letters, 2015, 25(15), 3024-3029

Production Method 5

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Acetonitrile ;  30 min, reflux
2.1 Reagents: Butyllithium Solvents: Tetrahydrofuran
2.2 Reagents: Hexachloroethane ;  10 min, -78 °C
2.3 Reagents: Sodium methoxide Solvents: Methanol ;  45 min, rt
3.1 Reagents: Permanganic acid (HMnO4), potassium salt (1:1) Solvents: tert-Butanol ,  Water ;  70 °C
Reference
3-Substituted pyrazoles and 4-substituted triazoles as inhibitors of human 15-lipoxygenase-1
Pelcman, Benjamin; et al, Bioorganic & Medicinal Chemistry Letters, 2015, 25(15), 3024-3029

5-Chloro-1H-pyrazole-3-carboxylic acid Raw materials

5-Chloro-1H-pyrazole-3-carboxylic acid Preparation Products

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