Product Name

  • Name

    Ipronidazole

  • EINECS
  • CAS No. 14885-29-1
  • Article Data6
  • CAS DataBase
  • Density 1.25g/cm3
  • Solubility 9.4g/L(20 oC)
  • Melting Point 60°
  • Formula C7H11 N3 O2
  • Boiling Point 309.3°Cat760mmHg
  • Molecular Weight 169.183
  • Flash Point 140.9°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by ingestion. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
  • Risk Codes 22
  • Molecular Structure Molecular Structure of 14885-29-1 (Ipronidazole)
  • Hazard Symbols Xn
  • Synonyms Imidazole,2-isopropyl-1-methyl-5-nitro- (8CI);1-Methyl-2-(1-methylethyl)-5-nitro-1H-imidazole; 1-Methyl-2-isopropyl-5-nitroimidazole;2-Isopropyl-1-methyl-5-nitroimidazole; Ipronidazole; Ipropran; NSC 109212; Ro07-1554
  • PSA 63.64000
  • LogP 1.97490

Ipropran Chemical Properties

Molecular Structure of Ipropran (CAS NO. 14885-29-1):

EINECS: 238-957-3
IUPAC Name: 1-Methyl-5-nitro-2-propan-2-ylimidazole   
Molecular Formula: C7H11N3O2
Molecular Weight: 169.181140 g/mol
XLogP3: 1.1
H-Bond Donor: 0
H-Bond Acceptor: 3
Canonical SMILES: CC(C)C1=NC=C(N1C)[N+](=O)[O-]
InChI: InChI=1S/C7H11N3O2/c1-5(2)7-8-4-6(9(7)3)10(11)12/h4-5H,1-3H3
InChIKey: NTAFJUSDNOSFFY-UHFFFAOYSA-N
Index of Refraction: 1.571
Molar Refractivity: 44.36 cm3
Molar Volume: 134.9 cm3
Surface Tension: 43.5 dyne/cm
Density: 1.25 g/cm3
Flash Point: 140.9 °C
Enthalpy of Vaporization: 52.81 kJ/mol
Boiling Point: 309.3 °C at 760 mmHg
Vapour Pressure: 0.00118 mmHg at 25 °C
Water Solubility: 1.153e+005 mg/L at 25 °C
BRN of Ipropran (CAS NO. 14885-29-1): 0744577

Ipropran Toxicity Data With Reference

1.    

mmo-sat 1 µmol/L

     TCMUD8    Teratogenesis, Carcinogenesis, and Mutagenesis. 3 (1983),429.
2.    

mmo-esc 50 µmol/L

     MUREAV    Mutation Research. 48 (1977),155.
3.    

mmo-klp 20 µmol/L/20H

     MUREAV    Mutation Research. 66 (1979),207.
4.    

mmo-omi 20 µmol/L

     MUREAV    Mutation Research. 48 (1977),155.
5.    

mmo-smc 5 ppm

     MUREAV    Mutation Research. 86 (1981),243.
6.    

orl-trk LD50:640 mg/kg

     POSCAL    Poultry Science. 49 (1970),92.

Ipropran Safety Profile

Moderately toxic by ingestion. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.

Ipropran Specification

  Ipropran with cas registry number of 14885-29-1 is also known as 1-Methyl-2-(1-methylethyl)-5-nitro-1H-imidazole ; 1H-Imidazole, 2-isopropyl-1-methyl-5-nitro- ; 1H-Imidazole, 1-methyl-2-(1-methylethyl)-5-nitro- ; 2-Isopropyl-1-methyl-5-nitroimidazole ; 5-23-05-00207 (Beilstein Handbook Reference) ; Ipronidazole ; Ipronidazole [USAN:INN:BAN] ; Ipronidazol ; Ipronidazol [INN-Spanish] ; Ipronidazolo ; Ipronidazolo [DCIT] ; Ipronidazolum ; Ipronidazolum [INN-Latin] ; Ipropran ; Imidazole, 2-isopropyl-1-methyl-5-nitro- (8CI) ; M+B 16905 ; NSC 109212 ; Ro 07-1554 ; Ro 7-1554 ; UNII-045BU63E23 .

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