Ferrocene,1,1'-dibutyl- supplier

Name
1,1'-DI-N-BUTYLFERROCENE
EINECS 215-060-5
CAS No. 1274-08-4
Article Data4
CAS DataBase
Density 1.1432 g/cm3
Solubility
Melting Point
Formula C₁₈H₂₆Fe
Boiling Point 162.8 °C at 760 mmHg
Molecular Weight 298.251
Flash Point 35.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Bis(n-butylcyclopentadienyl)iron;1,1'-Dibutylferrocene;Iron,bis(butylcyclopentadienyl)- (6CI,7CI);
PSA 0.00000
LogP 4.87310

Ferrocene,1,1'-dibutyl- Specification

The Ferrocene,1,1'-dibutyl-, with CAS registry number 1274-08-4, belongs to the following product category: Industrial/Fine Chemicals. It has the systematic name of iron(2+) bis(2-butylcyclopenta-2,4-dienide). Besides this, it is also called 1,1'-DI-N-Butylferrocene. And the chemical formula of this chemical is C₁₈H₂₆Fe. What's more, its EINECS is 215-060-5.

Physical properties of Ferrocene,1,1'-dibutyl-: (1)ACD/LogP: 3.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.97; (4)ACD/LogD (pH 7.4): 3.97; (5)ACD/BCF (pH 5.5): 614.25; (6)ACD/BCF (pH 7.4): 614.25; (7)ACD/KOC (pH 5.5): 3447.48; (8)ACD/KOC (pH 7.4): 3447.48; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å²; (13)Flash Point: 35.4 °C; (14)Enthalpy of Vaporization: 38.29 kJ/mol; (15)Boiling Point: 162.8 °C at 760 mmHg; (16)Vapour Pressure: 2.79 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Fe+2].[c-]1cccc1CCCC.[c-]1cccc1CCCC
(2)InChI: InChI=1/2C9H13.Fe/c2*1-2-3-6-9-7-4-5-8-9;/h2*4-5,7-8H,2-3,6H2,1H3;/q2*-1;+2
(3)InChIKey: FJUFINOZWSTZEZ-UHFFFAOYAF
(4)Std. InChI: InChI=1S/2C9H13.Fe/c2*1-2-3-6-9-7-4-5-8-9;/h2*4-5,7-8H,2-3,6H2,1H3;/q2*-1;+2
(5)Std. InChIKey: FJUFINOZWSTZEZ-UHFFFAOYSA-N

Product Name

1,1'-DI-N-BUTYLFERROCENE

Ferrocene,1,1'-dibutyl- Specification

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