CAS No.84680-95-5,1,1'-Bis(di-tert-butylphosphino)ferrocene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	84680-95-5
Name:	1,1'-Bis(di-tert-butylphosphino)ferrocene
Article Data:	2

Formula:	C₂₆H₄₄FeP₂
Molecular Weight:	474.43
Synonyms:	1,1'-Bis(di-tert-butylphosphino)ferrocene;1,1'-Bis[bis(tert-butyl)phosphino]ferrocene;
EINECS:	626-167-5
Melting Point:	181-182°C (dec.)
Solubility:	Insoluble in water.
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	36/37/39-26
PSA:	27.18000
LogP:	8.28090

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Specification

The 1,1'-Bis(di-tert-butylphosphino)ferrocene with the CAS number 84680-95-5 is also called Ferrocene,1,1'-bis[bis(1,1-dimethylethyl)phosphino]-. The IUPAC name is ditert-butyl(cyclopenta-1,3-dien-1-yl)phosphane; iron(2+). Its molecular formula is C₂₆H₄₄FeP₂. This chemical belongs to the following product categories: (1)Classes of Metal Compounds; (2)Fe (Iron) Compounds; (3)Ferrocenes; (4)Metallocenes; (5)Phosphine Ligands; (6)Synthetic Organic Chemistry; (7)Transition Metal Compounds; (8)Catalysis and Inorganic Chemistry; (9)Phosphorus Compounds; (10)Polydentate Phosphine Ligands.

Properties Computed from Structure: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 2; (3)Rotatable Bond Count: 6; (4)Exact Mass: 474.226767; (5)MonoIsotopic Mass: 474.226767; (6)Topological Polar Surface Area: 0; (7)Heavy Atom Count: 29; (8)Formal Charge: 0; (9)Complexity: 387; (10)Isotope Atom Coun: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 3.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)P(C1=CC=CC1[Fe]C2C=CC=C2P(C(C)(C)C)C(C)(C)C)C(C)(C)C
(2)InChI: InChI=1/2C13H22P.Fe/c2*1-12(2,3)14(13(4,5)6)11-9-7-8-10-11;/h2*7-10H,1-6H3;/rC26H44FeP2/c1-23(2,3)28(24(4,5)6)21-17-13-15-19(21)27-20-16-14-18-22(20)29(25(7,8)9)26(10,11)12/h13-20H,1-12H3
(3)InChIKey: FPLSJBJGQLJLSV-SDLDYHCKAP