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Cas Database |
| Name |
4-Iodo-1-methyl-1H-imidazole |
EINECS | N/A |
| CAS No. | 71759-87-0 | Density | 2.07 g/cm3 |
| PSA | 17.82000 | LogP | 1.02470 |
| Solubility | N/A | Melting Point |
51-54 °C |
| Formula | C4H5IN2 | Boiling Point | 299 °C at 760 mmHg |
| Molecular Weight | 208.002 | Flash Point | 134.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
1-Methyl-4-iodoimidazole;4-Iodo-1-methylimidazole; |
Article Data | 13 |
4-Iodo-1-methyl-1H-imidazole Chemical Properties
IUPAC Name: 4-Iodo-1-methylimidazole
Synonyms of 1H-Imidazole,4-iodo-1-methyl- (CAS NO.71759-87-0): 4-Iodo-1-methyl-1H-imidazole
CAS NO: 71759-87-0
Molecular Formula: C4H5IN2
Molecular Weight: 208.00
Molecular Structure: 
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 17.82 Å2
Index of Refraction: 1.681
Molar Refractivity: 37.9 cm3
Molar Volume: 100.1 cm3
Surface Tension: 47.5 dyne/cm
Density: 2.07 g/cm3
Flash Point: 134.6 °C
Enthalpy of Vaporization: 51.74 kJ/mol
Boiling Point: 299 °C at 760 mmHg
Vapour Pressure: 0.00218 mmHg at 25°C
SMILES: Ic1ncn(c1)C
InChI: InChI=1/C4H5IN2/c1-7-2-4(5)6-3-7/h2-3H,1H3
InChIKey: HUQSHNLGOKQVHA-UHFFFAOYAF
Std. InChI: InChI=1S/C4H5IN2/c1-7-2-4(5)6-3-7/h2-3H,1H3
Std. InChIKey: HUQSHNLGOKQVHA-UHFFFAOYSA-N
Product Categories of 1H-Imidazole,4-iodo-1-methyl- (CAS NO.71759-87-0): blocks;Imidazoles;Iodides;Imidazol&Benzimidazole;Building Blocks;Imidazole
4-Iodo-1-methyl-1H-imidazole Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38: 1H-Imidazole,4-iodo-1-methyl- (CAS NO.71759-87-0) is irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
Hazard Note: Irritant
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