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117294-21-0

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Basic Information
CAS No.: 117294-21-0
Name: 8-Bromo-2-tetralone
Article Data: 10
Molecular Structure:
Molecular Structure of 117294-21-0 (8-Bromo-2-tetralone)
Formula: C10H9BrO
Molecular Weight: 225.085
Synonyms: 8-Bromo-3,4-dihydro-2(1H)-naphthalenone;
Density: 1.511 g/cm3
Boiling Point: 330.977 °C at 760 mmHg
Flash Point: 117.027 °C
PSA: 17.07000
LogP: 2.50690
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Chemistry

Molecular Structure of 8-Bromo-2-tetralone (CAS No. 117294-21-0):

Systematic Name: 8-bromo-3,4-dihydronaphthalen-2(1H)-one
Synonyms: 8-Bromo-3,4-dihydro-1H-naphthalen-2-one
Molecular Formula: C10H9BrO
Molecular Weight: 225.08
CAS Registry Number: 117294-21-0
Index of Refraction: 1.598
Molar Refractivity: 50.85 cm3
Molar Volume: 148.9 cm3
Surface Tension: 46.4 dyne/cm
Density: 1.511 g/cm3
Flash Point: 117 °C
Enthalpy of Vaporization: 57.36 kJ/mol
Boiling Point: 331 °C at 760 mmHg
Vapour Pressure: 0.00016 mmHg at 25°C
Structure Descriptors of 8-Bromo-2-tetralone (CAS No. 117294-21-0):
SMILES: Brc1cccc2c1CC(=O)CC2
InChI: InChI=1/C10H9BrO/c11-10-3-1-2-7-4-5-8(12)6-9(7)10/h1-3H,4-6H2
InChIKey: RWEVGLMABSFMKW-UHFFFAOYAA
Std. InChI: InChI=1S/C10H9BrO/c11-10-3-1-2-7-4-5-8(12)6-9(7)10/h1-3H,4-6H2
Std. InChIKey: RWEVGLMABSFMKW-UHFFFAOYSA-N