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Ethanone, 2-bromo-1,2-diphenyl-

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Name

Ethanone, 2-bromo-1,2-diphenyl-

EINECS 216-057-1
CAS No. 1484-50-0 Density 1.406 g/cm3
PSA 17.07000 LogP 4.00550
Solubility N/A Melting Point 53-58 °C
Formula C14H11BrO Boiling Point 344.8 °C at 760 mmHg
Molecular Weight 275.145 Flash Point 57.3 °C
Transport Information UN 1759 Appearance Beige-brown crystalline powder
Safety 28A-26-45-36/37/39-28-27 Risk Codes 34-36/37
Molecular Structure Molecular Structure of 1484-50-0 (2-BROMO-2-PHENYLACETOPHENONE) Hazard Symbols CorrosiveC
Synonyms

Acetophenone,2-bromo-2-phenyl- (6CI,7CI,8CI);1-Bromo-1,2-diphenyl-2-ethanone;2-Bromo-1,2-diphenylethanone;2-Bromo-2-phenylacetophenone;Desyl bromide;a-Bromo-a-phenylacetophenone;a-Bromobenzyl phenyl ketone;a-Bromodeoxybenzoin;a-Phenylphenacyl bromide;

Article Data 69

Ethanone, 2-bromo-1,2-diphenyl- Specification

The Ethanone, 2-bromo-1,2-diphenyl- is an organic compound with the formula C14H11BrO. The IUPAC name of this chemical is 2-bromo-1,2-diphenylethanone. With the CAS registry number 1484-50-0 and EINECS 216-057-1, it is also named as 2-Bromo-1,2-diphenylethan-1-one. It is beige-brown crystalline powder which should be sealed in the container and stored in the cool and dry place. People should ensure that the workplace has well-ventilated equipment.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.9; (4)ACD/LogD (pH 7.4): 3.9; (5)ACD/BCF (pH 5.5): 541.74; (6)ACD/BCF (pH 7.4): 541.74; (7)ACD/KOC (pH 5.5): 3151.03; (8)ACD/KOC (pH 7.4): 3151.03; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.617; (14)Molar Refractivity: 68.5 cm3; (15)Molar Volume: 195.5 cm3; (16)Polarizability: 27.15×10-24 cm3; (17)Surface Tension: 48.2 dyne/cm; (18)Enthalpy of Vaporization: 58.89 kJ/mol; (19)Vapour Pressure: 6.41E-05 mmHg at 25°C; (20)Rotatable Bond Count: 3; (21)Tautomer Count: 2; (22)Exact Mass: 273.999328; (23)MonoIsotopic Mass: 273.999328; (24)Topological Polar Surface Area: 17.1; (25)Heavy Atom Count: 16; (26)Complexity: 227.

Preparation of Ethanone, 2-bromo-1,2-diphenyl-: It can be obtained by 1,2-diphenyl-ethanone. This reaction needs reagent bromine and solvent CHCl3 by heating. The reaction time is 3 hours. The yield is 98%.

Ethanone, 2-bromo-1,2-diphenyl- can be obtained by 1,2-diphenyl-ethanone

Uses of Ethanone, 2-bromo-1,2-diphenyl-: It can react with thioacetamide to get 2-methyl-4,5-diphenyl-thiazole. This reaction needs solvent dimethylformamide at temperature of 65 °C. The reaction time is 8 hours. The yield is 97%.

Ethanone, 2-bromo-1,2-diphenyl- can react with thioacetamide to get 2-methyl-4,5-diphenyl-thiazole

When you are using this chemical, please be cautious about it as the following:
It can cause burns. It is also irritating to eyes and respiratory system. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. After contact with skin, wash immediately with plenty of soap-suds. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure. 
1. SMILES:O=C(c1ccccc1)C(Br)c2ccccc2
2. InChI:InChI=1/C14H11BrO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13H 
3. InChIKey:ZFFBIQMNKOJDJE-UHFFFAOYAP

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