CAS No.1484-50-0,2-BROMO-2-PHENYLACETOPHENONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1484-50-0
Name:	2-BROMO-2-PHENYLACETOPHENONE
Article Data:	69

Formula:	C₁₄H₁₁BrO
Molecular Weight:	275.145
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;
EINECS:	216-057-1
Density:	1.406 g/cm³
Melting Point:	53-58 °C
Boiling Point:	344.8 °C at 760 mmHg
Flash Point:	57.3 °C
Appearance:	Beige-brown crystalline powder
Hazard Symbols:	C
Risk Codes:	34-36/37
Safety:	28A-26-45-36/37/39-28-27
Transport Information:	UN 1759
PSA:	17.07000
LogP:	4.00550

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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%.

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%.

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