Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

2-Bromo-1-(3,5-di-tert-butyl-4-hydroxyphenyl)ethanone

Related Products

Hot Products

Name

2-Bromo-1-(3,5-di-tert-butyl-4-hydroxyphenyl)ethanone

EINECS N/A
CAS No. 14386-64-2 Density 1.23 g/cm3
PSA 37.30000 LogP 4.56480
Solubility N/A Melting Point 105 °C
Formula C16H23BrO2 Boiling Point 347.4 °C at 760 mmHg
Molecular Weight 327.261 Flash Point 163.9 °C
Transport Information UN 1759 Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 14386-64-2 (2-BROMO-1-[3,5-DI(TERT-BUTYL)-4-HYDROXYPHENYL]ETHAN-1-ONE) Hazard Symbols CorrosiveC, ToxicT
Synonyms

3, 5-Di-tert-butyl-4-hydroxyphenacyl bromide;

Article Data 7

2-Bromo-1-(3,5-di-tert-butyl-4-hydroxyphenyl)ethanone Specification

The 1-(3, 5-Di-tert-butyl-4-hydroxyphenyl)-2-bromethanone, with the CAS registry number 14386-64-2, is also known as 3, 5-Di-tert-butyl-4-hydroxyphenacyl bromide. This chemical's molecular formula is C16H23BrO2 and molecular weight is 327.26. What's more, its IUPAC name is 2-Bromo-1-(3, 5-ditert-butyl-4-hydroxyphenyl)ethanone. In addition, it must be stored in airtight containers and placed in a dry, ventilated place at room temperature. Meanwhile, it should avoid contact with light and oxidant.

Physical properties about 1-(3, 5-Di-tert-butyl-4-hydroxyphenyl)-2-bromethanone are: (1)ACD/LogP: 5.33; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.33; (4)ACD/LogD (pH 7.4): 5.24; (5)ACD/BCF (pH 5.5): 6558.16; (6)ACD/BCF (pH 7.4): 5436.44; (7)ACD/KOC (pH 5.5): 18763.71; (8)ACD/KOC (pH 7.4): 15554.32; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 82.66 cm3; (15)Molar Volume: 265.9 cm3; (16)Polarizability: 32.77×10-24 cm3; (17)Surface Tension: 36.9 dyne/cm; (18)Density: 1.23 g/cm3; (19)Flash Point: 163.9 °C; (20)Enthalpy of Vaporization: 61.5 kJ/mol; (21)Boiling Point: 347.4 °C at 760 mmHg; (22)Vapour Pressure: 2.69E-05 mmHg at 25 °C.

Preparation of 1-(3, 5-Di-tert-butyl-4-hydroxyphenyl)-2-bromethanone: this chemical is prepared by reaction of 1-(3, 5-Di-tert-butyl-4-hydroxy-phenyl)-ethanone with Br2. The reaction needs solvent Ethanol. The reaction time is 2.5 hours. The yield is about 73 %.

The 1-(3, 5-Di-tert-butyl-4-hydroxyphenyl)-2-bromethanone can be obtained by 1-(3, 5-Di-tert-butyl-4-hydroxy-phenyl)-ethanone and Br2.

Uses of 1-(3, 5-Di-tert-butyl-4-hydroxyphenyl)-2-bromethanone: it is used to produce other chemicals. For example, it is used to produce 2-(3, 5-Bi-tert-butyl-4-hydroxyphenyl)imidazo[1, 2-a]pyridine by heating. The reaction needs reagent Pyridin-2-ylamine and solvent Ethanol. The reaction time is 2 hours. The yield is about 68.3 %.

 1-(3, 5-Di-tert-butyl-4-hydroxyphenyl)-2-bromethanone can be used to produce 2-(3, 5-Bi-tert-butyl-4-hydroxyphenyl)imidazo[1, 2-a]pyridine.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may destroy living tissue and cause damage to health at low levels. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. During using it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: BrCC(=O)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
(2) InChI: InChI=1/C16H23BrO2/c1-15(2,3)11-7-10(13(18)9-17)8-12(14(11)19)16(4,5)6/h7-8,19H,9H2,1-6H3
(3) InChIKey: UYPXQSLSPUBZQW-UHFFFAOYAR

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 14386-64-2