Product Name: Bromopentamethylbenzene (CAS NO.5153-40-2)
Molecular Formula: C11H15Br
Molecular Weight: 227.14g/mol
Mol File: 5153-40-2.mol
EINECS: 225-926-4
Boiling point: 286.5 °C at 760 mmHg
Flash Point: 126 °C
Density: 1.214 g/cm3
Index of Refraction: 1.533
Molar Refractivity: 58.06 cm3
Molar Volume: 186.9 cm3
Surface Tension: 32.3 dyne/cm
Enthalpy of Vaporization: 50.46 kJ/mol
Vapour Pressure: 0.00452 mmHg at 25°C
XLogP3-AA: 4.4
H-Bond Donor: 0
H-Bond Acceptor: 0
Structure Descriptors of Bromopentamethylbenzene (CAS NO.5153-40-2):
IUPAC Name: 1-bromo-2,3,4,5,6-pentamethylbenzene
Canonical SMILES: CC1=C(C(=C(C(=C1C)C)Br)C)C
InChI: InChI=1S/C11H15Br/c1-6-7(2)9(4)11(12)10(5)8(6)3/h1-5H3
InChIKey: XPDQRULPGCFCLX-UHFFFAOYSA-N
Product Categories: pharmacetical
Safety Information of Bromopentamethylbenzene (CAS NO.5153-40-2):
Safety Statements: 22-24/25
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
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