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70-11-1

Basic Information
CAS No.: 70-11-1
Name: 2-Bromoacetophenone
Article Data: 347
Molecular Structure:
Molecular Structure of 70-11-1 (2-Bromoacetophenone)
Formula: C8H7BrO
Molecular Weight: 199.047
Synonyms: Acetophenone,2-bromo- (8CI);Acetophenone, a-bromo- (1CI);1-Bromo-2-phenylethan-2-one;1-Phenyl-2-bromoethanone;2-Bromo-1-phenylethan-1-one;2-Bromo-1-phenylethanone;2-Bromoacetophenone;Benzoylmethyl bromide;Bromoacetophenone;Bromomethyl phenyl ketone;NSC 9807;Phenacyl bromide;Phenyl bromomethyl ketone;Stauffer 4644;a-Bromoacetophenone;b-Bromoacetophenone;w-Bromacetophenone;w-Bromoacetophenone;
EINECS: 200-724-9
Density: 1.483 g/cm3
Melting Point: 48-51 °C(lit.)
Boiling Point: 253.4 °C at 760 mmHg
Flash Point: 78.4 °C
Solubility: practically insoluble in water
Appearance: off-white crystalline powder
Hazard Symbols: CorrosiveC
Risk Codes: 34-20/21/22
Safety: 26-36/37/39-45
Transport Information: UN 2645 6.1/PG 2
PSA: 17.07000
LogP: 2.26420
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    2'-Bromoacetophenone Basic information Product Name: 2'-Bromoacetophenone Synonyms: Acetophenone, o-bromo-;ETHANONE, 1-(2-BROMOPHENYL)-;AKOS BBS-00004325;1-

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History

2-Bromoacetophenone(70-11-1) was first reported in 1871.

Specification

The Ethanone,2-bromo-1-phenyl-, with the CAS registry number 70-11-1, is also known as Benzoylmethyl bromide. It belongs to the product categories of Analytical Chemistry; Carboxyl Group Labeling Reagents for HPLC; HPLC Labeling Reagents; UV Detection (HPLC Labeling Reagents); Acetophenone series. Its EINECS number is 200-724-9. This chemical's molecular formula is C8H7BrO and molecular weight is 199.05. What's more, its systematic name is 2-bromo-1-phenylethanone. It is used for the organic synthesis of raw materials. It is an intermediate of pharmaceutical and dye. It should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides, heat and fire.

Physical properties of Ethanone,2-bromo-1-phenyl- are: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 50.36 Å2; (7)Index of Refraction: 1.531; (8)Molar Refractivity: 65.61 cm3; (9)Molar Volume: 211.8 cm3; (10)Polarizability: 26.01×10-24cm3; (11)Surface Tension: 42.7 dyne/cm; (12)Density: 1.106 g/cm3; (13)Flash Point: 192.9 °C; (14)Enthalpy of Vaporization: 64.55 kJ/mol; (15)Boiling Point: 395.3 °C at 760 mmHg; (16)Vapour Pressure: 1.85E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by bromination of acetophenone.

C6H5C(O)CH3 + Br2 → C6H5C(O)CH2Br + HBr

Uses of Ethanone,2-bromo-1-phenyl-: it can be used to produce 2-phenyl-imidazo[1,2-a]pyridine by heating. It will need reagent sodium carbonate and solvents dioxane, H2O with the reaction time of 22.5 hours. The yield is about 94%.

Ethanone,2-bromo-1-phenyl- can be used to produce 2-phenyl-imidazo[1,2-a]pyridine by heating

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC[C@@H]1CCCN1)OCc2ccccc2
(2)Std. InChI: InChI=1S/C13H18N2O2/c16-13(15-9-12-7-4-8-14-12)17-10-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2,(H,15,16)/t12-/m0/s1
(3)Std. InChIKey: UHPHWVPAQZJMDO-LBPRGKRZSA-N