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Bis(pentamethylcyclopentadienyl)chromium

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Name

Bis(pentamethylcyclopentadienyl)chromium

EINECS N/A
CAS No. 74507-61-2 Density N/A
PSA 0.00000 LogP 5.94400
Solubility N/A Melting Point N/A
Formula C20H30Cr Boiling Point 170.2 °C at 760 mmHg
Molecular Weight 322.454 Flash Point 44.4 °C
Transport Information N/A Appearance N/A
Safety 26-37/39 Risk Codes 20/21/22
Molecular Structure Molecular Structure of 74507-61-2 (BIS(PENTAMETHYLCYCLOPENTADIENYL)CHROMIUM) Hazard Symbols HarmfulXn
Synonyms

Bis(h5-pentamethylcyclopentadienyl)chromium;Decamethylchromocene;

 

Bis(pentamethylcyclopentadienyl)chromium Specification

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

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