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7210-68-6

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Basic Information
CAS No.: 7210-68-6
Name: BROMOTRIMETHYL-P-BENZOQUINONE
Article Data: 8
Molecular Structure:
Molecular Structure of 7210-68-6 (BROMOTRIMETHYL-P-BENZOQUINONE)
Formula: C9H9BrO2
Molecular Weight: 229.073
Synonyms: p-Benzoquinone,bromotrimethyl- (6CI,7CI,8CI);2,3,5-Trimethyl-6-bromo-1,4-benzoquinone;2-Bromo-3,5,6-trimethyl-2,5-cyclohexadiene-1,4-dione;Bromotrimethyl-1,4-benzoquinone;NSC 56329;
Density: 1.503 g/cm3
Boiling Point: 261.9 °C at 760 mmHg
Flash Point: 83.9 °C
PSA: 34.14000
LogP: 2.14350
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Specification

This chemical is called 2,5-Cyclohexadiene-1,4-dione,2-bromo-3,5,6-trimethyl-, and its systematic name is 2-bromo-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione. With the molecular formula of C9H9BrO2, its molecular weight is 229.07. The CAS registry number of this chemical is 7210-68-6.

Other characteristics of the 2,5-Cyclohexadiene-1,4-dione,2-bromo-3,5,6-trimethyl- can be summarised as followings: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 34.14 Å2; (7)Index of Refraction: 1.556; (8)Molar Refractivity: 49.03 cm3; (9)Molar Volume: 152.3 cm3; (10)Polarizability: 19.43×10-24cm3; (11)Surface Tension: 40.5 dyne/cm; (12)Density: 1.503 g/cm3; (13)Flash Point: 83.9 °C; (14)Enthalpy of Vaporization: 49.97 kJ/mol; (15)Boiling Point: 261.9 °C at 760 mmHg; (16)Vapour Pressure: 0.0112 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Br\C1=C(\C(=O)\C(=C(/C1=O)C)C)C
2.InChI: InChI=1/C9H9BrO2/c1-4-5(2)9(12)7(10)6(3)8(4)11/h1-3H3
3.InChIKey: DMXCEMCFRJWMJP-UHFFFAOYAS