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Name	Secnidazole	EINECS	222-134-0
CAS No.	3366-95-8	Density	1.39 g/cm³
PSA	83.87000	LogP	1.00370
Solubility	N/A	Melting Point	76 °C
Formula	C₇H₁₁N₃O₃	Boiling Point	396.1 °C at 760 mmHg
Molecular Weight	185.183	Flash Point	193.4 °C
Transport Information	N/A	Appearance	Crystalline solid
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Imidazole-1-ethanol, alpha,2-dimethyl-5-nitro-;PM 185184;Secnidazol [INN-Spanish];1-(2-methyl-5-nitro-imidazol-1-yl)propan-2-ol;1-(2-Methyl-5-nitro-1-imidazolyl)-2-propanol;Secnidazole [BAN:DCF:INN];alpha,2-Dimethyl-5-nitroimidazole-1-ethanol;1-(2-Hydroxypropyl)-2-methyl-5-nitroimidazol;Secnidazolum [INN-Latin];1H-Imidazole-1-ethanol,R,2-dimethyl-5- nitro-;RP 14539;	Article Data	9

Secnidazole Synthetic route

: 19686-73-8
1-bromo-2-propanol

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

: 3366-95-8
secnidazole

Conditions

Conditions	Yield
With potassium carbonate In acetone at 70℃; for 5h; Reagent/catalyst; Temperature;	89.1%

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

: 75-56-9, 16033-71-9
methyloxirane

: 3366-95-8
secnidazole

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;	80.5%
With aluminum (III) chloride In ethyl acetate at 45 - 50℃; for 1.5h; Temperature;	75%

: 34091-34-4
1-(2-methyl-imidazol-1-yl)-propan-2-ol

: 3366-95-8
secnidazole

Conditions

Conditions	Yield
With magnesium(II) perchlorate; N–nitrosaccharin In [D3]acetonitrile at 85℃; for 19h; Inert atmosphere; Sealed tube;	44%

: 7732-18-5
water

: 3366-95-8
secnidazole

: 7789-45-9
copper(ll) bromide

: [Cu(secnidazole)2Br2]*0.5H2O

Conditions

Conditions	Yield
In ethanol for 4h; Reflux;	96%

: copper(II) choride dihydrate

: 3366-95-8
secnidazole

: 1429662-19-0
[Cu(secnidazole)2Cl2]

Conditions

Conditions	Yield
In ethanol for 4h; Reflux;	96%

: 7732-18-5
water

: 6147-53-1
cobalt(II) diacetate tetrahydrate

: 3366-95-8
secnidazole

: [Co2(secnidazole)6(O2C2H3)2(μ2-O2 H5C3)2]·H2O

Conditions

Conditions	Yield
In ethanol for 4h; Reflux;	95%

: 6018-89-9
nickel(II) acetate tetrahydrate

: 3366-95-8
secnidazole

: [Ni2(secnidazole)4(μ2-O2C2H3)4]

Conditions

Conditions	Yield
In ethanol for 4h; Reflux;	93%

: 79-37-8
oxalyl dichloride

: 3366-95-8
secnidazole

: bis(1-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-yl) oxalate

Conditions

Conditions	Yield
Stage #1: secnidazole With pyridine In toluene at 40℃; for 0.5h; Green chemistry; Stage #2: oxalyl dichloride In toluene at 40℃; for 2.5h; Green chemistry;	91%

: 104-12-1
p-chlorphenylisocyanate

: 3366-95-8
secnidazole

: 1-methyl-2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl (4-chlorophenyl)carbamate

Conditions

Conditions	Yield
With ammonium chloride; triethylamine In toluene at 110℃; for 17h; Inert atmosphere;	91%

: 10025-99-7
potassium tetrachloroplatinate(II)

: 3366-95-8
secnidazole

: 84431-19-6
(NO2CCHNC(CH3)N(CH2CH(OH)CH3))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.;	90%

Secnidazole Chemical Properties

Molecular Formula: C₇H₁₁N₃O₃
Molecular Weight: 185.18
EINECS: 222-134-0
Index of Refraction: 1.597
Density: 1.39 g/cm³
Flash Point: 193.4 °C
Enthalpy of Vaporization: 68.17 kJ/mol
Boiling Point: 396.1 °C at 760 mmHg
Vapour Pressure: 5.49E-07 mmHg at 25 °C
Melting point: 76 °C
Appearance: Crystalline solid
Structure of Secnidazole (CAS NO.3366-95-8):

IUPAC Name: 1-(2-Methyl-5-nitroimidazol-1-yl)propan-2-ol
Canonical SMILES: CC1=NC=C(N1CC(C)O)[N+](=O)[O-]
InChI: InChI=1S/C7H11N3O3/c1-5(11)4-9-6(2)8-3-7(9)10(12)13/h3,5,11H,4H2,1-2H3
InChIKey: KPQZUUQMTUIKBP-UHFFFAOYSA-N
Product Category of Secnidazole (CAS NO.3366-95-8): Active Pharmaceutical Ingredients;Heterocycles;Intermediates & Fine Chemicals

Secnidazole Uses

Secnidazole (CAS NO.3366-95-8) has been used for analog of metronidazole.

Secnidazole Specification

Secnidazole , its cas register number is 3366-95-8. It also can be called alpha,2-Dimethyl-5-nitro-1H-imidazole-1-ethanol .

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