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Basic Information
CAS No.: 5153-40-2
Name: Bromopentamethylbenzene
Molecular Structure:
Molecular Structure of 5153-40-2 (Bromopentamethylbenzene)
Formula: C11H15Br
Molecular Weight: 227.144
Synonyms: Benzene,bromopentamethyl- (6CI,7CI,8CI,9CI);1-Bromo-2,3,4,5,6-pentamethylbenzene;2,3,4,5,6-Pentamethylbromobenzene;NSC 340;
EINECS: 225-926-4
Density: 1.214 g/cm3
Melting Point: 161-162 °C
Boiling Point: 286.5 °C at 760 mmHg
Flash Point: 126 °C
Solubility: Insoluble in water.
Safety: 22-24/25
PSA: 0.00000
LogP: 3.99110
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Chemistry

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 Profile

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.