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2-Bromo-2'-nitroacetophenone

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Name

2-Bromo-2'-nitroacetophenone

EINECS N/A
CAS No. 6851-99-6 Density 1.671 g/cm3
PSA 62.89000 LogP 2.69560
Solubility N/A Melting Point 55-57 °C(lit.)
Formula C8H6BrNO3 Boiling Point 335.7 °C at 760 mmHg
Molecular Weight 244.045 Flash Point 156.9 °C
Transport Information UN 3261 8/PG 2 Appearance white to pale yellow crystalline powder
Safety 26-27-28-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 6851-99-6 (2-Bromo-2'-nitroacetophenone) Hazard Symbols CorrosiveC
Synonyms

Acetophenone,2-bromo-2'-nitro- (6CI,7CI,8CI);2-Bromo-1-(2-nitrophenyl)ethanone;2-Nitrophenacyl bromide;NSC 54389;o-Nitrophenacyl bromide;a-Bromo-2-nitroacetophenone;a-Bromo-o-nitroacetophenone;

Article Data 31

2-Bromo-2'-nitroacetophenone Specification

The 2-Bromo-1-(2-nitrophenyl)ethanone with cas registry number of 6851-99-6 is also known as 2-Bromo-2'-nitroacetophenone. It belongs to the several categories: Carbonyl Compounds; Halides; Ketone with appearance of white to pale yellow crystalline powder. Both its systematic name and IUPAC name are the same which is called 2-bromo-1-(2-nitrophenyl)ethanone.

The physical properties about this chemical are: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Index of Refraction: 1.609; (7)Molar Refractivity: 50.55 cm3; (8)Molar Volume: 145.9 cm3; (9)Surface Tension: 56.4 dyne/cm; (10)Density: 1.671 g/cm3; (11)Flash Point: 156.9 °C; (12)Enthalpy of Vaporization: 57.88 kJ/mol; (13)Boiling Point: 335.7 °C at 760 mmHg; (14)Vapour Pressure: 0.000117 mmHg at 25°C.

Preparation: there are several ways to synthesize this chemical. For example, it can be made by 1-(2-nitro-phenyl)-ethanone with reagents bromine, aluminium chloride and solvent Diethyl ether at Ambient temperature.

Uses of 2-Bromo-1-(2-nitrophenyl)ethanone: it can be used to prepare 4-(2-nitro-phenyl)-thiazol-2-ylamine with thiourea. It also needs solvent Ethanol with reaction time of 30 min.

When you are using this chemical, please be cautious about it as the following:
This chemical causes burns. Therefore, wear suitable protective clothing, gloves and eye/face protection during using it. After contact with skin, wash immediately with plenty of soap-suds. In addition, after using it, take off immediately all contaminated clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you feel unwell, seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1ccccc1C(=O)CBr;
(2)InChI: InChI=1/C8H6BrNO3/c9-5-8(11)6-3-1-2-4-7(6)10(12)13/h1-4H,5H2;
(3)InChIKey: SGXUUCSRVVSMGK-UHFFFAOYAF

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