Ornidazole supplier | CasNO.16773-42-5

Name
Ornidazole
EINECS 240-826-0
CAS No. 16773-42-5
Article Data19
CAS DataBase
Density 1.53 g/cm³
Solubility 4330 mg/L at 25 ºC in water
Melting Point 85-90 ºC
Formula C₇H₁₀ClN₃O₃
Boiling Point 443.2 ºC at 760 mmHg
Molecular Weight 219.628
Flash Point 221.9 ºC
Transport Information
Appearance Crystalline solid
Safety 36
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms Tiberal;1-Chloro-3-(5-(hydroxy(oxido)amino)-2-methyl-1H-imidazol-1-yl)-2-propanol;Ornidazol [INN-Spanish];alpha-(Chloromethyl)-2-methyl-5-nitro-1H-imidazole-1-ethanol (9CI);Madelen;Imidazole-1-ethanol, .alpha.- (chloromethyl)-2-methyl-5-nitro-;Prestwick_584;Ornidazolum [INN-Latin];1H-Imidazole-1-ethanol, .alpha.-(chloromethyl)-2-methyl-5-nitro-;Ormidazole;S-(-)-ornidazole;
PSA 83.87000
LogP 1.22260

Synthetic route

: 696-23-1
2-methyl-5-nitro-1H-imidazole

: 106-89-8
epichlorohydrin

: 16773-42-5
ornidazole

Conditions

Conditions	Yield
With 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(dimethylamino)cyclohexyl]thiourea In ethyl acetate at 25 - 30℃; for 6h; Solvent; Temperature; Reagent/catalyst;	85.2%
Stage #1: 2-methyl-5-nitro-1H-imidazole With aluminum (III) chloride In ethyl acetate at 0℃; for 0.25h; Stage #2: epichlorohydrin In ethyl acetate	79%
With aluminum (III) chloride In ethyl acetate at 45 - 50℃; for 1.5h;	78%

: 16773-42-5
ornidazole

: 16773-52-7
(±)-2-methyl-5-nitro-1-(oxiran-2-ylmethyl)-1H-imidazole

Conditions

Conditions	Yield
With sodium hydroxide In water; acetone at 0℃; for 1h; Inert atmosphere;	97.2%
With sodium hydroxide In dichloromethane; water at 0℃;	91%
With sodium hydroxide In dichloromethane at 0℃; for 3h;	90%
With sodium hydroxide for 0.25h;	82%

: 16773-42-5
ornidazole

: 160738-57-8, 112811-59-3
gatifloxacin

: 1-cyclopropyl-6-fluoro-7-(4-(2-hydroxy-3-(2-methyl-5-nitro-1H-imidazol-1-yl)propyl)-3-methylpiperazin-1-yl)-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Conditions

Conditions	Yield
With potassium hydroxide In ethanol; water for 12h; Reflux;	93%

: 10025-99-7
potassium tetrachloroplatinate(II)

: 16773-42-5
ornidazole

: 84431-20-9
(NO2CCHNC(CH3)N(CH2CH(OH)CH2Cl))2PtCl2

Conditions

Conditions	Yield
In water solid ligand added to aq. soln. of K2(PtCl4), stirred at 50 °C for 1 h; ppt. filtered, washed with EtOH/Et2O, Et2O, dried in vac.; elem. anal.;	91%

: 16773-42-5
ornidazole

: 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-4-oxo-7-(3-methylaminopiperidin-1-yl)-3-quinolinecarboxylic acid

: 1-cyclopropyl-6-fluoro-7-(3-((2-hydroxy-3-(2-methyl-5-nitro-1H-imidazol-1-yl)propyl)(methyl)amino)piperidin-1-yl)-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Conditions

Conditions	Yield
With potassium hydroxide In ethanol; water for 12h; Reflux;	91%

: moxifloxacin hydrochloride

: 16773-42-5
ornidazole

: 1-cyclopropyl-6-fluoro-7-((4aS,7aS)-1-(2-hydroxy-3-(2-methyl-5-nitro-1H-imidazol-1-yl)propyl)hexahydro-1H-pyrrolo[3,4-b]pyridin-6(2H)-yl)-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Conditions

Conditions	Yield
With potassium hydroxide In ethanol; water for 12h; Reflux;	87%

: 16773-42-5
ornidazole

: C14H19Cl2N6O8P

Conditions

Conditions	Yield
With trichlorophosphate In acetonitrile Reflux;	87%

: 108-24-7
acetic anhydride

: 16773-42-5
ornidazole

: 57939-59-0
1-(2-acetoxypropyl-3-chloro)-2-methyl-5-nitroimidazole

Conditions

Conditions	Yield
With pyridine for 1h; Ambient temperature;	84%

: 16773-42-5
ornidazole

: potassium 4-benzylpiperidinedithiocarbamate

: (±)-2-hydroxy-3-(2-methyl-5-nitro-1H-imidazol-1-yl)propyl 4-benzylpiperidine-1-carbodithioate

Conditions

Conditions	Yield
In acetone for 4h; Alkylation; Heating;	81%

: 16773-42-5
ornidazole

: 4-phenyl-5-(2-thienyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

: 1-(2-methyl-5-nitro-imidazol-1-yl)-3-(4-phenyl-5-thiophen-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-propan-2-ol

Conditions

Conditions	Yield
With potassium carbonate In acetone for 21h; Alkylation; Heating;	81%

: 16773-42-5
ornidazole

: 4-(4-fluoro-phenyl)-5-furan-2-yl-2,4-dihydro-[1,2,4]triazole-3-thione

: 1-[4-(4-fluoro-phenyl)-5-furan-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-3-(2-methyl-5-nitro-imidazol-1-yl)-propan-2-ol

Conditions

Conditions	Yield
With potassium carbonate In acetone for 21h; Alkylation; Heating;	81%

: 16773-42-5
ornidazole

: 4-cyclohexyl-5-(2-furyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

: 1-(4-cyclohexyl-5-furan-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-3-(2-methyl-5-nitro-imidazol-1-yl)-propan-2-ol

Conditions

Conditions	Yield
With potassium carbonate In acetone for 21h; Alkylation; Heating;	80%

: 16773-42-5
ornidazole

: 4-ethyl-2,4-dihydro-5-(2-furyl)-3H-1,2,4-triazole-3-thione

: 1-(4-ethyl-5-furan-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-3-(2-methyl-5-nitro-imidazol-1-yl)-propan-2-ol

Conditions

Conditions	Yield
With potassium carbonate In acetone for 21h; Alkylation; Heating;	79%

: 16773-42-5
ornidazole

: 5-(2-furyl)-4-phenyl-2,4-dihydro-1,2,4-triazole-3-thione

: 1-(5-furan-2-yl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-3-(2-methyl-5-nitro-imidazol-1-yl)-propan-2-ol

Conditions

Conditions	Yield
With potassium carbonate In acetone for 21h; Alkylation; Heating;	78%

: 6046-93-1
copper(II) acetate monohydrate

: 16773-42-5
ornidazole

: [Cu2(acetate)4(1-chloro-3-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-ol)2]

Conditions

Conditions	Yield
In methanol at 60℃; for 6h; Reflux;	78%

: 88-74-4
2-nitro-aniline

: 16773-42-5
ornidazole

: C13H15N5O5

Conditions

Conditions	Yield
In propan-1-ol for 64h; Reflux;	77%

: 16773-42-5
ornidazole

: 108-95-2
phenol

: 19180-02-0
1-(3'-phenoxy-2'-hydroxypropyl)-2-methyl-5-nitroimidazole

Conditions

Conditions	Yield
With potassium carbonate In propan-1-ol for 12h; Heating;	76.4%

: 16773-42-5
ornidazole

: 5-(2-furyl)-4-(4-chlorophenyl)-2,4-dihydro-1,2,4-triazole-3-thione

: 1-[4-(4-chloro-phenyl)-5-furan-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-3-(2-methyl-5-nitro-imidazol-1-yl)-propan-2-ol

Conditions

Conditions	Yield
With potassium carbonate In acetone for 21h; Alkylation; Heating;	76%

: 16773-42-5
ornidazole

: 4-(4-bromophenyl)-5-(furan-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

: 1-[4-(4-bromo-phenyl)-5-furan-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-3-(2-methyl-5-nitro-imidazol-1-yl)-propan-2-ol

Conditions

Conditions	Yield
With potassium carbonate In acetone for 21h; Alkylation; Heating;	75%

: 106-47-8
4-chloro-aniline

: 16773-42-5
ornidazole

: C13H15ClN4O3

Conditions

Conditions	Yield
In propan-1-ol for 64h; Reflux;	73%

: 16773-42-5
ornidazole

: 4-(4-chlorophenyl)-5-(thiophen-2-yl)-2,4-dihydro-3 H-1,2,4-triazole-3-thione

: 1-[4-(4-chloro-phenyl)-5-thiophen-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-3-(2-methyl-5-nitro-imidazol-1-yl)-propan-2-ol

Conditions

Conditions	Yield
With potassium carbonate In acetone for 21h; Alkylation; Heating;	71%

: 16773-42-5
ornidazole

: 1-(3-chloro-2-hydroxypropyl)-2-methyl-5-aminoimidazole

Conditions

Conditions	Yield
With hydrogen In para-xylene at 130℃; under 750.075 Torr; for 24h; chemoselective reaction;	71%
With hydrogenchloride; zinc In ethanol
With sulfuric acid In methanol; water at 25℃; Electrochemical reaction;

: 75-31-0
isopropylamine

: 16773-42-5
ornidazole

: 1-(3'-isopropylamino-2'-hydroxypropyl)-2-methyl-5-nitroimidazole

Conditions

Conditions	Yield
In propan-1-ol for 4h; Heating;	70.17%

: 62-53-3
aniline

: 16773-42-5
ornidazole

: 1-(3'-anilino-2'-hydroxypropyl)-2-methyl-5-nitroimidazole

Conditions

Conditions	Yield
In propan-1-ol for 4h; Heating;	70.17%

: 16773-42-5
ornidazole

: 4-allyl-5-furan-2-yl-2,4-dihydro-[1,2,4]triazole-3-thione

: 1-(4-allyl-5-furan-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-3-(2-methyl-5-nitro-imidazol-1-yl)-propan-2-ol

Conditions

Conditions	Yield
With potassium carbonate In acetone for 21h; Alkylation; Heating;	70%

: 16773-42-5
ornidazole

: 4-butyl-5-furan-2-yl-2,4-dihydro-[1,2,4]triazole-3-thione

: 1-(4-butyl-5-furan-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-3-(2-methyl-5-nitro-imidazol-1-yl)-propan-2-ol

Conditions

Conditions	Yield
With potassium carbonate In acetone for 21h; Alkylation; Heating;	70%

: 100-01-6
4-nitro-aniline

: 16773-42-5
ornidazole

: C13H15N5O5

Conditions

Conditions	Yield
In propan-1-ol for 64h; Reflux;	68%

: 123447-62-1
prulifloxacin

: 16773-42-5
ornidazole

: 6-fluoro-1-methyl-7-[4-(5-methyl-2-oxo-[1,3]dioxol-4-ylmethyl)piperazin-1-yl]-4-oxo-4H-2-thia-8b-aza-cycobuta[a]naphthalene-3-carboxylic acid 1-chloromethyl-2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester

Conditions

Conditions	Yield
With dmap; benzotriazol-1-ol; dicyclohexyl-carbodiimide In N,N-dimethyl-formamide at 20℃; for 16h;	65%

: 16773-42-5
ornidazole

: 95-76-1
m,p-dichloroaniline

: C13H14Cl2N4O3

Conditions

Conditions	Yield
In propan-1-ol for 64h; Reflux;	65%

: 16773-42-5
ornidazole

: 106-40-1
4-bromo-aniline

: C13H15BrN4O3

Conditions

Conditions	Yield
In propan-1-ol for 64h; Reflux;	64%

Ornidazole Chemical Properties

Molecular Structure of Ornidazole (CAS NO.16773-42-5):

IUPAC Name: 1-Chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
Canonical SMILES: CC1=NC=C(N1CC(CCl)O)[N+](=O)[O-]
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
InChIKey: IPWKIXLWTCNBKN-UHFFFAOYSA-N
Molecular Weight: 219.6256 [g/mol]
Molecular Formula: C₇H₁₀ClN₃O₃
XLogP3: 0.6
H-Bond Donor: 1
H-Bond Acceptor: 4
Index of Refraction: 1.617
Molar Refractivity: 50.19 cm³
Molar Volume: 143.3 cm³
Surface Tension: 58.2 dyne/cm
Density: 1.53 g/cm³
Flash Point: 221.9 °C
Enthalpy of Vaporization: 73.86 kJ/mol
Boiling Point: 443.2 °C at 760 mmHg
Vapour Pressure: 1.23E-08 mmHg at 25 °C
Appearance: Crystalline Solid
Melting Point: 85-90 °C
Water Solubility: 4330 mg/L at 25 °C
Classification Code: Amebicides; Anti-Infective Agents; Anti-infective; Antiparasitic Agents; Antiprotozoal Agents; Antitrichomonal agents; Drug / Therapeutic Agent; Mutation data; Radiation-sensitizing agents; Reproductive Effect

Ornidazole Uses

Ornidazole (CAS NO.16773-42-5) is a drug that cures some protozoan infections. It is used by the poultry industry. It has been investigated for use in Crohn's disease after bowel resection.

Ornidazole Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	1120mg/kg (1120mg/kg)	Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 612, 1978.
mouse	LD50	intravenous	375mg/kg (375mg/kg)	Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 612, 1978.
mouse	LD50	oral	1139mg/kg (1139mg/kg)	Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 612, 1978.
rabbit	LD50	oral	> 2gm/kg (2000mg/kg)	Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 612, 1978.
rat	LD50	oral	1780mg/kg (1780mg/kg)	Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 612, 1978.

Ornidazole Safety Profile

Safety Information of Ornidazole (CAS NO.16773-42-5):
Hazard Codes : Harmful Xn
Risk Statements : 22
R22:Harmful if swallowed.
Safety Statements : 36
S36:Wear suitable protective clothing.
WGK Germany : 3
RTECS : NI5460000
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 NO_x.

Ornidazole Specification

Ornidazole (CAS NO.16773-42-5), its Synonyms are 1-(2-Hydroxy-3-chloropropyl)-2-methyl-5-nitroimidazole ; 1-(3-Chloro-2-hydroxypropyl)-2-methyl-5-nitroimidazole ; Madelen ; Ornidazolum ; alpha-(Chlormethyl)-2-methyl-5-nitro-imidazol-1-aethanol ; alpha-(Chloromethyl)-2-methyl-5-nitroimidazole-1-ethanol ; 1H-Imidazole-1-ethanol, alpha-(chloromethyl)-2-methyl-5-nitro- ; Imidazole-1-ethanol, alpha-(chloromethyl)-2-methyl-5-nitro- .

Product Name

Ornidazole

Synthetic route

Ornidazole Chemical Properties

Ornidazole Uses

Ornidazole Toxicity Data With Reference

Ornidazole Safety Profile

Ornidazole Specification

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