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16681-59-7

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Basic Information
CAS No.: 16681-59-7
Name: 2-Bromo-1-methyl-1H-imidazole
Article Data: 13
Molecular Structure:
Molecular Structure of 16681-59-7 (2-Bromo-1-methyl-1H-imidazole)
Formula: C4H5 Br N2
Molecular Weight: 161.001
Synonyms: Imidazole,2-bromo-1-methyl- (8CI); 2-Bromo-1-methyl-1H-imidazole;2-Bromo-1-methylimidazole; 2-Bromo-N-methylimidazole
Density: 1.649
Boiling Point: 172 ºC
Flash Point: 110 ºC
Hazard Symbols:
Risk Codes: R22;R38;R41   
Safety:
Hazard Codes Xn,Xi
Risk Statements 22-38-41
Safety Statements 26
WGK Germany 3
Hazard Note Irritant
PSA: 17.82000
LogP: 1.18260
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Chemistry

IUPAC Name: 2-Bromo-1-methylimidazole 
Following is the structure of 1H-Imidazole,2-bromo-1-methyl- (CAS NO.16681-59-7):
                           
Empirical Formula: C4H5BrN2
Molecular Weight: 160.9999 g/mol
Molar Refractivity: 32.8 cm3
Molar Volume: 95.1 cm3
Density: 1.69 g/cm3
Flash Point: 96.3 °C
Index of Refraction: 1.606
Surface Tension: 43.2 dyne/cm
Enthalpy of Vaporization: 47.23 kJ/mol
Boiling Point: 235.6 °C at 760 mmHg
Vapour Pressure: 0.0497 mmHg at 25 °C
Product Categories: blocks; Bromides; Imidazoles; Imidazol & Benzimidazole; Halogenated Heterocycles; Heterocyclic Building Blocks; ImidazolesBuilding Blocks
Canonical SMILES: CN1C=CN=C1Br
InChI: InChI=1S/C4H5BrN2/c1-7-3-2-6-4(7)5/h2-3H,1H3
InChIKey: BANOTGHIHYMTDL-UHFFFAOYSA-N

Safety Profile

Hazard Codes: HarmfulXn,IrritantXi
Risk Statements: 22-38-41 
R22:Harmful if swallowed. 
R38:Irritating to skin. 
R41:Risk of serious damage to the eyes.
Safety Statements: 26 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
Hazard Note: Irritant

Specification

 1H-Imidazole,2-bromo-1-methyl- , its cas register number is 216681-59-7. It also can be called 2-Bromo-1-Methyl-1H-Imidazole .