Name: 5-Bromo-2-tetralone
SKU: 132095-53-5

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Basic Information

Molecular Structure:
CAS No.:	132095-53-5
Name:	5-Bromo-2-tetralone
Article Data:	9

Formula:	C₁₀H₉BrO
Molecular Weight:	225.085
Synonyms:	OSU 71A;5-Bromo-3,4-dihydro-1H-naphthalen-2-one;
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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Specification

The systematic name of 5-Bromo-2-tetralone is 5-bromo-3,4-dihydronaphthalen-2(1H)-one. With the CAS registry number 132095-53-5, it is also named as 2(1H)-Naphthalenone,5-bromo-3,4-dihydro-. In addition, its molecular formula is C₁₀H₉BrO and its molecular weight is 225.08.

The other characteristics of 5-Bromo-2-tetralone can be summarized as: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 2.5; (5)ACD/BCF (pH 5.5): 46.6; (6)ACD/BCF (pH 7.4): 46.6; (7)ACD/KOC (pH 5.5): 544.28; (8)ACD/KOC (pH 7.4): 544.28; (9)H bond acceptors: 1; (10)H bond donors: 0; (11)Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 50.85 cm³; (15)Molar Volume: 148.9 cm³; (16)Polarizability: 20.16×10^-24cm³; (17)Surface Tension: 46.4 dyne/cm; (18)Density: 1.511 g/cm³; (19)Flash Point: 117 °C; (20)Enthalpy of Vaporization: 57.36 kJ/mol; (21)Boiling Point: 331 °C at 760 mmHg; (22)Vapour Pressure: 0.00016 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Brc1cccc2c1CCC(=O)C2
(2)InChI:InChI=1/C10H9BrO/c11-10-3-1-2-7-6-8(12)4-5-9(7)10/h1-3H,4-6H2
(3)InChIKey:DDVQSZNNPLLKCW-UHFFFAOYAA
(4)Std. InChI:InChI=1S/C10H9BrO/c11-10-3-1-2-7-6-8(12)4-5-9(7)10/h1-3H,4-6H2
(5)Std. InChIKey:DDVQSZNNPLLKCW-UHFFFAOYSA-N