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| CAS No.: | 36443-80-8 |
|---|---|
| Name: | 1-BENZYL-3-METHYLIMIDAZOLIUM CHLORIDE |
| Article Data: | 27 |
| Molecular Structure: | |
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| Formula: | C11H13ClN2 |
| Molecular Weight: | 208.691 |
| Synonyms: | 3-Benzyl-1-methyl-1H-imidazolium chloride;1-Methyl-3-benzylimidazolium chloride; |
| EINECS: | 200-144-5 |
| Melting Point: | 70 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26 |
| PSA: | 8.81000 |
| LogP: | -1.63510 |
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Specification
The 1H-Imidazolium,1-methyl-3-(phenylmethyl)-, chloride (1:1), with the CAS registry number 36443-80-8, has the systematic name of 1-benzyl-3-methyl-1H-imidazol-3-ium chloride. It belongs to the product category of Labeling and Diagnostics Reagents. And the molecular formula of this chemical is C11H13ClN2. In addition, it is often used as fluorescent label.
The physical properties of 1H-Imidazolium,1-methyl-3-(phenylmethyl)-, chloride (1:1) are as following: (1)#H bond acceptors: 2; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 8.81 Å2.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].c1cc(ccc1)Cn2cc[n+](c2)C
(2)Std. InChI: InChI=1S/C11H13N2.ClH/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11;/h2-8,10H,9H2,1H3;1H/q+1;/p-1
(3)Std. InChIKey: FCRZSGZCOGHOGF-UHFFFAOYSA-M