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96557-30-1

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Basic Information
CAS No.: 96557-30-1
Name: 2-(2-Bromophenyl)acetaldehyde
Article Data: 34
Molecular Structure:
Molecular Structure of 96557-30-1 (2-(2-Bromophenyl)acetaldehyde)
Formula: C8H7BrO
Molecular Weight: 199.047
Synonyms: 1-Bromo-2-(formylmethyl)benzene;(2-Bromophenyl)acetaldehyde;2-Bromobenzeneacetaldehyde;Benzeneacetaldehyde,2-bromo;
Density: 1.466 g/cm3
Boiling Point: 262.1 °C at 760 mmHg
Flash Point: 95.8 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 17.07000
LogP: 2.19050
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Specification

The 2-(2-Bromophenyl)acetaldehyde, with the CAS registry number 96557-30-1, has the molecular formula C8H7BrO. Besides, its molecular weight is 199.0446. Its systematic name is called (2-bromophenyl)acetaldehyde.

Physical properties of 2-(2-Bromophenyl)acetaldehyde: (1)ACD/LogP: 2.55; (2)ACD/LogD (pH 5.5): 2.55; (3)ACD/LogD (pH 7.4): 2.55; (4)ACD/BCF (pH 5.5): 51.12; (5)ACD/BCF (pH 7.4): 51.12; (6)ACD/KOC (pH 5.5): 581.57; (7)ACD/KOC (pH 7.4): 581.57; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.556; (11)Molar Refractivity: 43.67 cm3; (12)Molar Volume: 135.7 cm3; (13)Surface Tension: 40.8 dyne/cm; (14)Density: 1.466 g/cm3; (15)Flash Point: 95.8 °C; (16)Enthalpy of Vaporization: 49.99 kJ/mol; (17)Boiling Point: 262.1 °C at 760 mmHg; (18)Vapour Pressure: 0.0111 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccccc1CC=O
(2)InChI: InChI=1/C8H7BrO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,6H,5H2
(3)InChIKey: AXBFWAWZAFWFQW-UHFFFAOYAX