2,5-Cyclohexadiene-1,4-dione,2-bromo-3,5,6-trimethyl- supplier

Name
BROMOTRIMETHYL-P-BENZOQUINONE
EINECS
CAS No. 7210-68-6
Article Data8
CAS DataBase
Density 1.503 g/cm³
Solubility
Melting Point
Formula C₉H₉BrO₂
Boiling Point 261.9 °C at 760 mmHg
Molecular Weight 229.073
Flash Point 83.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 34.14000
LogP 2.14350

2,5-Cyclohexadiene-1,4-dione,2-bromo-3,5,6-trimethyl- 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

Product Name

BROMOTRIMETHYL-P-BENZOQUINONE

2,5-Cyclohexadiene-1,4-dione,2-bromo-3,5,6-trimethyl- Specification

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