4-Methyl-5-bromoimidazole

IUPAC Name: 4-Bromo-5-methyl-1H-imidazole
Synonyms of 1H-Imidazole,5-bromo-4-methyl- (CAS NO.15813-08-8): 4-Methyl-5-bromoimidazole ; 4-Methyl-5-bromo-1H-imidazole
CAS NO: 15813-08-8
Molecular Formula: C₄H₅BrN₂
Molecular Weight: 161.00
Molecular Structure:
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 0
Polar Surface Area: 17.82 Å²
Index of Refraction: 1.584
Molar Refractivity: 31.29 cm³
Molar Volume: 93.4 cm³
Surface Tension: 50.5 dyne/cm
Density: 1.723 g/cm³
Flash Point: 152.5 °C
Enthalpy of Vaporization: 54.82 kJ/mol
Boiling Point: 328.5 °C at 760 mmHg
Vapour Pressure: 0.000361 mmHg at 25°C
Melting Point: 140-143°C
Storage temp: Keep Cold
SMILES: Brc1ncnc1C
InChI: InChI=1/C4H5BrN2/c1-3-4(5)7-2-6-3/h2H,1H3,(H,6,7)
InChIKey: APWKDMLCPWYWKA-UHFFFAOYAN
Std. InChI: InChI=1S/C4H5BrN2/c1-3-4(5)7-2-6-3/h2H,1H3,(H,6,7)
Std. InChIKey: APWKDMLCPWYWKA-UHFFFAOYSA-N
Product Categories of 1H-Imidazole,5-bromo-4-methyl- (CAS NO.15813-08-8): blocks;Bromides;Imidazoles;Imidazol&Benzimidazole;Imidaxoles

Hazard Codes: Xi
Hazard Note: Irritant/Keep Cold