Product Name

  • Name

    Nafagrel

  • EINECS
  • CAS No. 97901-22-9
  • Density 1.29g/cm3
  • Solubility
  • Melting Point
  • Formula C15H16N2O2•ClH
  • Boiling Point 507.6°Cat760mmHg
  • Molecular Weight 292.79
  • Flash Point 260.8°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and HCl.
  • Risk Codes
  • Molecular Structure Molecular Structure of 97901-22-9 (Nafagrel)
  • Hazard Symbols
  • Synonyms C15H16N2O2.HCl.H2O;DP-1904;nafagrel hydrochloride;6-(1-Imidazolylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid hydrochloride 1/2H2O;2-Naphthalenecarboxylic acid,5,6,7,8-tetrahydro-6-(1H-imidazol-1-ylmethyl)-,monohydrochloride,hemihydrate;
  • PSA 55.12000
  • LogP 3.18840

6-(1-Imidazolylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid hydrochloride 1/2H2O Chemical Properties

IUPAC Name: 6-(Imidazol-1-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acidhydrochloride 
Following is the structure of 6-(1-Imidazolylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid hydrochloride 1/2H2O (CAS NO.97901-22-9):
                                 
Empirical Formula: C15H17ClN2O2
Molecular Weight: 292.7607 g/mol
Flash Point: 260.8 °C
Enthalpy of Vaporization: 81.9 kJ/mol
Boiling Point: 507.6 °C at 760 mmHg
Vapour Pressure of 6-(1-Imidazolylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid hydrochloride 1/2H2O (CAS NO.97901-22-9): 3.98E-11 mmHg at 25 °C
Canonical SMILES: C1CC2=C(CC1CN3C=CN=C3)C=CC(=C2)C(=O)O.Cl
InChI: InChI=1S/C15H16N2O2.ClH/c18-15(19)14-4-3-12-7-11(1-2-13(12)8-14)9-17-6-
5-16-10-17;/h3-6,8,10-11H,1-2,7,9H2,(H,18,19);1H
InChIKey: DRWRJLPMUWWEHY-UHFFFAOYSA-N

6-(1-Imidazolylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid hydrochloride 1/2H2O Toxicity Data With Reference

1.    

orl-rat LD50:1994 mg/kg

     JKXXAF    Japanese Kokai Tokkyo Koho Patents. (U.S. Patent Office, Science Library, 2021 Jefferson Davis Highway, Arlington, VA 22202) #93-97669 .

6-(1-Imidazolylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid hydrochloride 1/2H2O Safety Profile

 Moderately is toxic by ingestion. When heated to decomposition, 6-(1-Imidazolylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid hydrochloride 1/2H2O (CAS NO.97901-22-9) emits toxic vapors of NOx and HCl.

6-(1-Imidazolylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid hydrochloride 1/2H2O Specification

 6-(1-Imidazolylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid hydrochloride 1/2H2O , its cas register number is 97901-22-9. It also can be called 2-Naphthalenecarboxylic acid, 5,6,7,8-tetrahydro-6-(1H-imidazol-1-ylmethyl)-, monohydrochloride, hemihydrate . Its classification code is Drug / Therapeutic Agent.

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