CAS No.1272-44-2,Benzoylferrocene Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1272-44-2
Name:	Benzoylferrocene
Article Data:	79

Formula:	C₁₇H₁₄FeO
Molecular Weight:	290.145
Synonyms:	Iron,(benzoylcyclopentadienyl)cyclopentadienyl- (6CI);Ketone, ferrocenyl phenyl(8CI);1-Benzoylferrocene;Benzoyldicyclopentadienyliron;Benzoylferrocene;Ferrecenophenone;Ferrocenyl phenyl ketone;Ferrocenyl(phenyl)methanone;Methanone, ferrocenylphenyl-;Monobenzoylferrocene;NSC 54800;Phenylferrocenyl ketone;
EINECS:	215-054-2
Density:	1.117g/cm³
Melting Point:	105-107 °C(lit.)
Boiling Point:	283.7°C at 760 mmHg
Flash Point:	118.7°C
Solubility:	Insoluble in water
Appearance:	red to red-brown powder
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38
Safety:	24/25-37/39-26
PSA:	17.07000
LogP:	3.29360

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Specification

The CAS register number of Benzoylferrocene is 1272-44-2. It also can be called as (Benzoylcyclopentadienyl)cyclopentadienyliron and the IUPAC name about this chemical is cyclopenta-1,3-diene; cyclopenta-1,3-dien-1-yl(phenyl)methanone; iron(2+). The molecular formula about this chemical is C₁₇H₁₄FeO and the molecular weight is 290.14. It belongs to the following product categories, such as Industrial/Fine Chemicals; Pharmaceutical Intermediates; Classes of Metal Compounds; Fe (Iron) Compounds; Ferrocenes; Metallocenes; Transition Metal Compounds and so on.

Physical properties about Benzoylferrocene are: (1)H-Bond Acceptor: 3; (2)Rotatable Bond Count: 2; (3)Exact Mass: 290.039407; (4)MonoIsotopic Mass: 290.039407; (5)Topological Polar Surface Area: 17.1; (6)Heavy Atom Count: 19; (7)Complexity: 242; (8)Covalently-Bonded Unit Count: 3.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection, you need avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)C(=O)[C]2[CH][CH][CH][CH]2.[CH]1[CH][CH][CH][CH]1.[Fe]
(2)InChI: InChI=1/C12H9O.C5H5.Fe/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10;1-2-4-5-3-1;/h1-9H;1-5H;
(3)InChIKey: JJHHJZCYDPLHIL-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C12H9O.C5H5.Fe/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10;1-2-4-5-3-1;/h1-9H;1-5H;
(5)Std. InChIKey: JJHHJZCYDPLHIL-UHFFFAOYSA-N