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CAS No 16773-42-5 , 1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol

  • Name: 1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
  • Synonyms: 1-(3-Chloro-2-hydroxypropyl)-2-methyl-5-nitroimidazole; Ornidazolum; Ornidazol;Tiberal; Madelen; Ro 7-0207;1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol; 16773-42-5;
  • CAS Registry Number:
  • Melting Point: 85-90 ºC
  • Flash Point: 221.9 ºC
  • Boiling Point: 443.2 ºC at 760 mmHg
  • Density: 1.53 g/cm3
  • Refractive index: 1.617
  • Water Solubility: 4330 mg/L at 25 °C in water
  • Safety Statements: Poison by intravenous route. Moderately toxic by ingestion and intraperitoneal routes. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
  • Hazard Symbols: Xn: Harmful;
  • Flash Point: 221.9 ºC
  • EINECS: 240-826-0
  • Molecular Weight: 219.6256
  • InchiKey: IPWKIXLWTCNBKN-UHFFFAOYSA-N
  • InChI: InChI=1S/C7H10ClN3O3/c1-5-9-3-7(11(13)14)10(5)4-6(12)2-8/h3,6,12H,2,4H2,
    1H3
  • Risk Statements: 22
  • Molecular Formula: C7H10ClN3O3
  • Molecular Structure:CAS No:16773-42-5 1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol

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References of 1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
Title: Ornidazole
CAS Registry Number: 16773-42-5
CAS Name: a-(Chloromethyl)-2-methyl-5-nitro-1H-imidazole-1-ethanol
Synonyms: 1-(3-chloro-2-hydroxypropyl)-2-methyl-5-nitroimidazole
Manufacturers' Codes: Ro-7-0207
Trademarks: Madelen (Finadiet); Ornidal (Selvi); Tiberal (Roche)
Molecular Formula: C7H10ClN3O3
Molecular Weight: 219.63
Percent Composition: C 38.28%, H 4.59%, Cl 16.14%, N 19.13%, O 21.85%
Literature References: Prepn: NL 6606853; M. Hoffer, US 3435049 and US 3493582 (1966, 1969 and 1970, all to Hoffmann-La Roche). Activity studies: E. Grunberg et al., Proc. Soc. Exp. Biol. Med. 133, 490 (1970). Synthesis and antiprotozoal activity: M. Hoffer, E. Grunberg, J. Med. Chem. 17, 1019 (1974). Pharmacokinetics: D. E. Schwartz, F. Jeunet, Chemotherapy 22, 19 (1976).
Properties: Crystals from toluene, mp 77-78°. uv max (2-propanol): 288, 312 nm (e 3720, 9150). pKa: 2.4 ± 0.1. LD50 in rats, mice (mg/kg): 1780, 1420 orally (Grunberg). Also reported as LD50 in mice (mg/kg): >2000 orally, >2000 i.p. (Hoffer, Grunberg).
Melting point: mp 77-78°
pKa: pKa: 2.4 ± 0.1
Absorption maximum: uv max (2-propanol): 288, 312 nm (e 3720, 9150)
Toxicity data: LD50 in rats, mice (mg/kg): 1780, 1420 orally (Grunberg); LD50 in mice (mg/kg): >2000 orally, >2000 i.p. (Hoffer, Grunberg)
Therap-Cat: Anti-infective.
Keywords: Antiseptic/Disinfectant.