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| CAS No.: | 1702-42-7 |
|---|---|
| Name: | METHYLTRIBUTYLPHOSPHONIUM IODIDE |
| Molecular Structure: | |
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| Formula: | C13H30IP |
| Molecular Weight: | 344.259 |
| Synonyms: | Phosphonium,tributylmethyl-, iodide (8CI,9CI);Tributylmethylphosphonium iodide (7CI);Methyltributylphosphonium iodide;NSC 41941; |
| EINECS: | 200-144-5 |
| Melting Point: | 133.5 °C |
| Hazard Symbols: | R36/37/38:; |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 13.59000 |
| LogP: | 2.03810 |
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Specification
The IUPAC name of this chemical is tributyl(methyl)phosphanium iodide. With the CAS registry number 1702-42-7, it is also named as phosphonium, tributylmethyl-, iodide (1:1). The product's categories are Phosphonium Salts; Phosphonium Compounds. The formula is C13H30IP and molecular weight is 344.26.
The other characteristics of this product can be summarized as: (1)#H bond acceptors: 0; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 9; (4)Polar Surface Area: 0 Å2; (5)Rotatable Bond Count: 9; (6)Exact Mass: 344.11298; (7)MonoIsotopic Mass: 344.11298; (8)Topological Polar Surface Area: 0; (9)Heavy Atom Count: 15; (10)Formal Charge: 0; (11)Complexity: 98.6; (12)Covalently-Bonded Unit Count: 2.
Preparation of Tributyl(methyl)phosphonium iodide: It can be obtained by iodomethane. This reaction needs solvent diethyl ether at temperature of -78 - 25 °C. The reaction time is 0.5 hours. The yield is 63%.
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When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
1. SMILES:[I-].C(CC[P+](CCCC)(CCCC)C)C
2. InChI:InChI=1/C13H30P.HI/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;/h5-13H2,1-4H3;1H/q+1;/p-1
3. InChIKey:RLZMYANQLOCZOB-REWHXWOFAK