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About This Item
Empirical Formula (Hill Notation):
C3H3BrN2
CAS Number:
Molecular Weight:
146.97
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Assay
97%
mp
131-135 °C (lit.)
functional group
bromo
SMILES string
Brc1c[nH]cn1
InChI
1S/C3H3BrN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)
InChI key
FHZALEJIENDROK-UHFFFAOYSA-N
General description
4-Bromo-1H-imidazole (4-Br-1H-Im) is a heterocyclic building block containing an imidazole ring. It crystallizes in the monoclinic space group P21/c.
Application
4-Bromo-1H-imidazole may be used as a starting material to prepare 5(4)-bromo-4(5)-nitroimidazole.
It may be used in the synthesis of the following aminoimidazoles via palladium catalyzed amination:
It may be used in the synthesis of the following aminoimidazoles via palladium catalyzed amination:
- N-(4-ethoxyphenyl)-1H-imidazol-4-amine
- N-(2,5-dimethoxyphenyl)-1H-imidazol-4-amine
- N-(3-phenoxyphenyl)-1H-imidazol-4-amine
- N-(4-cyanophenyl)-1H-imidazol-4-amine
- N-(pyridin-3-yl)-1H-imidazol-4-amine
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 3 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
6.1D - Non-combustible acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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