ChemicalBook--->CAS DataBase List--->65902-59-2

65902-59-2

65902-59-2 Structure

65902-59-2 Structure
IdentificationMore
[Name]

2-Bromo-4-nitroimidazole
[CAS]

65902-59-2
[Synonyms]

2-BROMO-4-NITROIMIDAZOLE
2-Bromo-4-nitro-1H-imidazole
[EINECS(EC#)]

613-851-3
[Molecular Formula]

C3H2BrN3O2
[MDL Number]

MFCD09038915
[Molecular Weight]

191.97
[MOL File]

65902-59-2.mol
Chemical PropertiesBack Directory
[Melting point ]

232.0 to 236.0 °C
[Boiling point ]

402.5±37.0 °C(Predicted)
[density ]

2.156±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

Solid
[pka]

5.65±0.10(Predicted)
[color ]

White to Yellow
[InChI]

InChI=1S/C3H2BrN3O2/c4-3-5-1-2(6-3)7(8)9/h1H,(H,5,6)
[InChIKey]

UWRJWMLKEHRGOH-UHFFFAOYSA-N
[SMILES]

C1(Br)NC([N+]([O-])=O)=CN=1
[CAS DataBase Reference]

65902-59-2(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[HS Code ]

2933299090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sulfuric acid-->Nitric acid-->Acetic anhydride-->Chlorobenzene-->Imidazole-->Phosphorus oxybromide-->1H-Imidazole, 2-bromo-1-(methoxymethyl)-4-nitro--->2,5-dibromo-4-nitro-1H-imidazole-->2,4-dinitro-3H-imidazole
[Preparation Products]

2-Chloro-4-nitroimidazole
Hazard InformationBack Directory
[Chemical Properties]

Light yellow powder
[Uses]

A key building block for nitroimidazole drugs.
[Synthesis]

2-bromo-4-nitroimidazole is synthesized by dibromination of 4-nitroimidazole followed by selective debromination using in situ reductive deiodination strategy.
[References]

[1] Patent: EP2141151, 2010, A1. Location in patent: Page/Page column 8
Spectrum DetailBack Directory
[Spectrum Detail]

2-Bromo-4-nitroimidazole(65902-59-2)1HNMR
2-Bromo-4-nitroimidazole(65902-59-2)FT-IR
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