Iron,tricarbonyl[(1,2,3,4-η)-1,3-cyclohexadiene]- supplier

Name
CYCLOHEXADIENE IRON TRICARBONYL
EINECS
CAS No. 12152-72-6
Article Data4
CAS DataBase
Density
Solubility Not miscible or difficult to mix in water.
Melting Point 8°C
Formula C₉H₈FeO₃
Boiling Point 80.7 °C at 760 mmHg
Molecular Weight 220.008
Flash Point
Transport Information UN 1993
Appearance
Safety 16-26-36
Risk Codes 11-36/37/38
Molecular Structure
Hazard Symbols
Synonyms Cyclohexadieneirontricarbonyl (6CI);Iron, tricarbonyl(1,3-cyclohexadiene)- (7CI,8CI);1,3-Cyclohexadiene, iron complex;1,3-Cyclohexadieneiron tricarbonyl;Cyclohexadienetricarbonyliron;Tricarbonyl(1,3-cyclohexadiene)iron;Tricarbonyl(h4-1,3-cyclohexadiene)iron;iron(4+) cyclohexane-1,2,3,4-tetraide - carbon monooxide (1:1:3);
PSA 0.00000
LogP 1.26610

Iron,tricarbonyl[(1,2,3,4-η)-1,3-cyclohexadiene]- Specification

The Iron,tricarbonyl[(1,2,3,4-η)-1,3-cyclohexadiene]-, with the CAS registry number 12152-72-6, has the systematic name of iron(4+) cyclohexane-1,2,3,4-tetraide - carbon monooxide (1:1:3). It is a kind of air sensitive, and the molecular formula of the chemical is C₉H₈FeO₃.

The characteristics of Iron,tricarbonyl[(1,2,3,4-η)-1,3-cyclohexadiene]- are as followings: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 0 Å²; (7)Enthalpy of Vaporization: 29.97 kJ/mol; (8)Boiling Point: 80.7 °C at 760 mmHg; (9)Vapour Pressure: 93.7 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is a kind of flammable chemical which irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Keep away from sources of ignition - No smoking; Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Fe+4].[C-]#[O+].[O+]#[C-].[O+]#[C-].[CH-]1[CH-][CH-][CH-]CC1
(2)InChI: InChI=1/C6H8.3CO.Fe/c1-2-4-6-5-3-1;3*1-2;/h1-4H,5-6H2;;;;/q-4;;;;+4
(3)InChIKey: TXBWKYDGMSYCHC-UHFFFAOYAI

Product Name

CYCLOHEXADIENE IRON TRICARBONYL

Iron,tricarbonyl[(1,2,3,4-η)-1,3-cyclohexadiene]- Specification

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