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6851-99-6

Basic Information
CAS No.: 6851-99-6
Name: 2-Bromo-2'-nitroacetophenone
Article Data: 31
Molecular Structure:
Molecular Structure of 6851-99-6 (2-Bromo-2'-nitroacetophenone)
Formula: C8H6BrNO3
Molecular Weight: 244.045
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;
Density: 1.671 g/cm3
Melting Point: 55-57 °C(lit.)
Boiling Point: 335.7 °C at 760 mmHg
Flash Point: 156.9 °C
Appearance: white to pale yellow crystalline powder
Hazard Symbols: CorrosiveC
Risk Codes: 34
Safety: 26-27-28-36/37/39-45
Transport Information: UN 3261 8/PG 2
PSA: 62.89000
LogP: 2.69560
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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