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121124-94-5

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Basic Information
CAS No.: 121124-94-5
Name: 2-(BENZYLOXY)-5-BROMOBENZALDEHYDE
Article Data: 49
Molecular Structure:
Molecular Structure of 121124-94-5 (2-(BENZYLOXY)-5-BROMOBENZALDEHYDE)
Formula: C14H11BrO2
Molecular Weight: 291.144
Synonyms: 2-(Benzyloxy)-5-bromobenzenecarboxaldehyde;2-Benzyloxy-5-bromobenzaldehyde;5-Bromo-2-(benzyloxy)benzaldehyde;5-bromo-2-(phenylmethoxy)benzaldehyde;5-bromo-2-phenylmethoxybenzaldehyde;
Density: 1.441 g/cm3
Melting Point: 73-74 °C
Boiling Point: 405.3 °C at 760 mmHg
Flash Point: 198.9 °C
Hazard Symbols: IrritantXi
PSA: 26.30000
LogP: 3.84060
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Specification

The Benzaldehyde, 5-bromo-2-(phenylmethoxy)-, with the CAS registry number 121124-94-5, has the systematic name of 2-(benzyloxy)-5-bromobenzaldehyde. It is a kind of irritant chemical, and the molecular formula of the chemical is C14H11BrO2.

The characteristics of Benzaldehyde, 5-bromo-2-(phenylmethoxy)- are as followings: (1)ACD/LogP: 4.50; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.629; (8)Molar Refractivity: 71.86 cm3; (9)Molar Volume: 201.9 cm3; (10)Polarizability: 28.48×10-24cm3; (11)Surface Tension: 47.9 dyne/cm; (12)Density: 1.441 g/cm3; (13)Flash Point: 198.9 °C; (14)Enthalpy of Vaporization: 65.69 kJ/mol; (15)Boiling Point: 405.3 °C at 760 mmHg; (16)Vapour Pressure: 8.86E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc2cc(c(OCc1ccccc1)cc2)C=O
(2)InChI: InChI=1/C14H11BrO2/c15-13-6-7-14(12(8-13)9-16)17-10-11-4-2-1-3-5-11/h1-9H,10H2
(3)InChIKey: LXYOEDGDQBDZFK-UHFFFAOYAR