Butyrylferrocene supplier | CasNO.1271-94-9

Name
Butyrylferrocene
EINECS 215-045-3
CAS No. 1271-94-9
Density 1.254 g/mL at 25 °C(lit.)
Solubility
Melting Point 36-40 °C(lit.)
Formula C₁₄H₁₆FeO
Boiling Point 329 °C
Molecular Weight 256.12
Flash Point >230 °F
Transport Information
Appearance Red-brown powder or needle-like crystal
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cyclopenta-1,3-diene; 1-cyclopenta-1,3-dien-1-ylbutan-1-one; iron(2+);(2-Butanoylcyclopenta-2,4-dien-1-yl)-cyclopenta-2,4-dien-1-yl-iron;ST51055642;
PSA 17.07000
LogP 2.77990

Butyrylferrocene Specification

The Butyrylferrocene with CAS registry number of 1271-94-9 is also known as Ferrocene,(1-oxobutyl)-. The IUPAC name is Cyclopenta-1,3-diene; 1-cyclopenta-1,3-dien-1-ylbutan-1-one; iron(2+). It belongs to product categories of Industrial/Fine Chemicals; Ferrocene Series; Catalysis and Inorganic Chemistry; Chemical Synthesis. Its EINECS registry number is 215-045-3. In addition, the formula is C₁₄H₁₆FeO and the molecular weight is 256.12. This chemical is a red-brown powder or needle-like crystal that insoluble in water. It should be sealed in cool and dry place away from oxidants. During using it, avoid contact with skin and eyes.

Physical properties about Butyrylferrocene are: (1)H-Bond Acceptor: 3; (2)Rotatable Bond Count: 3; (3)Tautomer Count: 2; (4)Exact Mass: 256.055057; (5)MonoIsotopic Mass: 256.055057; (6)Topological Polar Surface Area: 17.1; (7)Heavy Atom Count: 16; (8)Complexity: 176; (9)Covalently-Bonded Unit Count: 3.

You can still convert the following datas into molecular structure:
1. SMILES:CCCC(=O)C1=CC=CC1[Fe]C2C=CC=C2
2. InChI:InChI=1/C9H11O.C5H5.Fe/c1-2-5-9(10)8-6-3-4-7-8;1-2-4-5-3-1;/h3-4,6-7H,2,5H2,1H3;1-5H;/rC14H16FeO/c1-2-6-14(16)12-9-5-10-13(12)15-11-7-3-4-8-11/h3-5,7-11,13H,2,6H2,1H3
3. InChIKey:CVNYMHASFXAXJV-ROYMWQDDAE
4. Std. InChI:InChI=1S/C9H11O.C5H5.Fe/c1-2-5-9(10)8-6-3-4-7-8;1-2-4-5-3-1;/h3-4,6-7H,2,5H2,1H3;1-5H;
5. Std. InChIKey:CVNYMHASFXAXJV-UHFFFAOYSA-N

Product Name

Butyrylferrocene

Butyrylferrocene Specification

Related Products

Hot Products