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54118-75-1

Basic Information
CAS No.: 54118-75-1
Name: 4-BROMO-4'-METHOXYBENZOPHENONE
Article Data: 46
Molecular Structure:
Molecular Structure of 54118-75-1 (4-BROMO-4'-METHOXYBENZOPHENONE)
Formula: C10H10N2O2
Molecular Weight: 291.144
Synonyms: Benzophenone,4-bromo-4'-methoxy- (6CI);4-Bromo-4'-methoxybenzophenone;N-(4-Nitroso-2,3-dihydronaphthalen-1-yl)hydroxylamine;
Density: 1.401 g/cm3
Melting Point: 160-161 °C
Boiling Point: 393.4 °C at 760 mmHg
Flash Point: 191.7 °C
PSA: 26.30000
LogP: 3.68870
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Specification

The CAS registry number of Methanone,(4-bromophenyl)(4-methoxyphenyl)- is 54118-75-1. The IUPAC name is N-(4-nitroso-2,3-dihydronaphthalen-1-yl)hydroxylamine. In addition, the molecular formula is C10H10N2O2 and the molecular weight is 190.20. It should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 4.17; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 26.3 Å2; (5)Index of Refraction: 1.593; (6)Molar Refractivity: 70.41 cm3; (7)Molar Volume: 207.7 cm3; (8)Polarizability: 27.91 ×10-24cm3; (9)Surface Tension: 43.6 dyne/cm; (10)Density: 1.401 g/cm3; (11)Flash Point: 191.7 °C; (12)Enthalpy of Vaporization: 64.33 kJ/mol; (13)Boiling Point: 393.4 °C at 760 mmHg; (14)Vapour Pressure: 2.14E-06 mmHg at 25°C.

Preparation of Methanone,(4-bromophenyl)(4-methoxyphenyl)-: it can be prepared by methoxybenzene and 4-bromo-benzoyl chloride. This reaction will need reagent Yb(OTf)3 and solvent nitromethane. The reaction time is 8 hours at reaction temperature of 60 °C. The yield is about 57%.

Methanone,(4-bromophenyl)(4-methoxyphenyl)- can be prepared by methoxybenzene and 4-bromo-benzoyl chloride

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(Br)cc1)c2ccc(OC)cc2
(2)InChI: InChI=1/C14H11BrO2/c1-17-13-8-4-11(5-9-13)14(16)10-2-6-12(15)7-3-10/h2-9H,1H3
(3)InChIKey: VFMPCNWWYIQPCN-UHFFFAOYAT