CAS No.12152-72-6,CYCLOHEXADIENE IRON TRICARBONYL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	12152-72-6
Name:	CYCLOHEXADIENE IRON TRICARBONYL
Article Data:	4

Formula:	C₉H₈FeO₃
Molecular Weight:	220.008
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);
Melting Point:	8°C
Boiling Point:	80.7 °C at 760 mmHg
Solubility:	Not miscible or difficult to mix in water.
Risk Codes:	11-36/37/38
Safety:	16-26-36
Transport Information:	UN 1993
PSA:	0.00000
LogP:	1.26610

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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