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Name	Chlorocarbonyl ferrocene	EINECS	N/A
CAS No.	1293-79-4	Density	N/A
PSA	34.14000	LogP	2.31170
Solubility	N/A	Melting Point	N/A
Formula	C₁₁H₉ClFeO	Boiling Point	164.7 °C at 760 mmHg
Molecular Weight	248.492	Flash Point	69.7 °C
Transport Information	N/A	Appearance	N/A
Safety	26-36/37/39-45	Risk Codes	34
Molecular Structure		Hazard Symbols	C
Synonyms	Chlorocarbonyl ferrocene	Article Data	107

Chlorocarbonyl ferrocene Specification

The Chlorocarbonyl ferrocene with CAS registry number of 1293-79-4 is also known as Ferrocene,(chlorocarbonyl)- (9CI). The systematic name is Cyclopenta-2,4-diene-1-carbonyl chloride; cyclopentane; iron. In addition, the formula is C₁₁H₉ClFeO and the molecular weight is 248.49.

Physical properties about Chlorocarbonyl ferrocene are: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 17.07Å²; (7)Flash Point: 69.7 °C; (8)Enthalpy of Vaporization: 40.12 kJ/mol; (9)Boiling Point: 164.7 °C at 760 mmHg; (10)Vapour Pressure: 1.94 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES:[Fe].ClC(=O)[c-]1cccc1.[CH-]1[CH-][CH-][CH-][CH-]1
2. InChI:InChI=1/C6H4ClO.C5H5.Fe/c7-6(8)5-3-1-2-4-5;1-2-4-5-3-1;/h1-4H;1-5H;/q-1;-5;
3. InChIKey:XZLCDOCMOHRPMO-UHFFFAOYAK
4. Std. InChI:InChI=1S/C6H4ClO.C5H5.Fe/c7-6(8)5-3-1-2-4-5;1-2-4-5-3-1;/h1-4H;1-5H;/q-1;-5;
5. Std. InChIKey:XZLCDOCMOHRPMO-UHFFFAOYSA-N

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