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CAS No.: | 74507-61-2 |
---|---|
Name: | BIS(PENTAMETHYLCYCLOPENTADIENYL)CHROMIUM |
Molecular Structure: | |
Formula: | C20H30Cr |
Molecular Weight: | 322.454 |
Synonyms: | Bis(h5-pentamethylcyclopentadienyl)chromium;Decamethylchromocene; |
Boiling Point: | 170.2 °C at 760 mmHg |
Flash Point: | 44.4 °C |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22 |
Safety: | 26-37/39 |
PSA: | 0.00000 |
LogP: | 5.94400 |
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The Bis(pentamethylcyclopentadienyl)chromium, with the CAS registry number 74507-61-2, has the systematic name of chromium; 1,2,3,4,5-pentamethylcyclopenta-1,3-diene; 1,2,3,4,5-pentamethylcyclopentane. It is a kind of black crystalline powder. And the molecular formula of the chemical is C20H30Cr.
The characteristics of Bis(pentamethylcyclopentadienyl)chromium are as followings: (1)ACD/LogP: 4.64; (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)Flash Point: 44.4 °C; (8)Enthalpy of Vaporization: 38.99 kJ/mol; (9)Boiling Point: 170.2 °C at 760 mmHg; (10)Vapour Pressure: 1.97 mmHg at 25°C.
You should be cautious while dealing with this chemical. It is harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, 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: [Cr].c1([c-](c(c(c1C)C)C)C)C.[C-]1([C-]([C-]([C-]([C-]1C)C)C)C)C
(2)InChI: InChI=1/2C10H15.Cr/c2*1-6-7(2)9(4)10(5)8(6)3;/h2*1-5H3;/q-5;-1
(3)InChIKey: SWEVRGNODUQKIK-UHFFFAOYAX