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| CAS No.: | 1338-14-3 |
|---|---|
| Name: | Iron naphthenate |
| Molecular Structure: | |
 |
|
| Formula: | 2(C11H7O2).Fe |
| Molecular Weight: | 398.20 |
| Synonyms: | Iron naphthenate;naphthalene-2-carboxylate;FERRIC NAPHTHENATE;iron ion(2+) bis(2-naphthoate); |
| EINECS: | 215-660-7 |
| Density: | 0,9 g/cm3 |
| Flash Point: | 40 °C |
| Solubility: | Slightly soluble in water. |
| Appearance: | brown liquid |
| Risk Codes: | 10-36/37/38 |
| Safety: | 16-26-36/37/39 |
| Transport Information: | 1993 |
| PSA: | 80.26000 |
| LogP: | 2.40410 |
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Specification
This chemical is called Iron naphthenate, and its IUPAC name is iron(2+); naphthalene-2-carboxylate. With the molecular formula of 2(C11H7O2).Fe, its molecular weight is 398.20. The CAS registry number of this chemical is 1338-14-3.
Other characteristics of the Iron naphthenate can be summarised as followings: (1)#H bond acceptors: 4; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 80.26 Å2; (5)Rotatable Bond Count: 0; (6)Exact Mass:398.024151; (7)MonoIsotopic Mass: 398.024151; (8)Topological Polar Surface Area: 80.3; (9)Heavy Atom Count: 27; (10)Formal Charge: 0; (11)Complexity: 195; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 0; (14)Undefined Atom StereoCenter Count: 0; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 3.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin, so you should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. It's flammable, so keep it away from sources of ignition.
You can still convert the following datas into molecular structure:
1.SMILES: [Fe+2].[O-]C(=O)c1cc2ccccc2cc1.[O-]C(=O)c1ccc2ccccc2c1
2.InChI: InChI=1/2C11H8O2.Fe/c2*12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;/h2*1-7H,(H,12,13);/q;;+2/p-2
3.InChIKey: PBDSMEGLJGEMDK-NUQVWONBAJ