CAS No.16184-89-7,4'-BROMO-2,2,2-TRIFLUOROACETOPHENONE Suppliers

Products Categories

Pharmaceutical (78)
Organic Chemicals (22)
Others (15)
Reagent (6)

Basic Information

Molecular Structure:
CAS No.:	16184-89-7
Name:	4'-BROMO-2,2,2-TRIFLUOROACETOPHENONE
Article Data:	36

Formula:	C₈H₄BrF₃O
Molecular Weight:	253.018
Synonyms:	Acetophenone,4'-bromo-2,2,2-trifluoro- (8CI);1-(4-Bromophenyl)-2,2,2-trifluoroethanone;2,2,2-Trifluoro-1-(4-bromophenyl)ethanone;4-Bromo-a,a,a-trifluoroacetophenone;4-Bromophenyl trifluoromethyl ketone;4-Bromotrifluoroacetone;4'-Bromo-2,2,2-trifluoroacetophenone;4'-Bromo-a,a,a-trifluoroacetophenone;p-Bromo-a,a,a-trifluoroacetophenone;
EINECS:	629-304-7
Density:	1.648 g/cm³
Melting Point:	26-30 °C
Boiling Point:	239.891 °C at 760 mmHg
Flash Point:	98.883 °C
Solubility:	Slightly soluble in water.
Appearance:	pale yellow transparent liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	17.07000
LogP:	3.19410

Country:
Business Type:
All

Lab/Research institutions

Trading Company

Manufacturers

Other
Certificate:
Manufacturer

Enterprise Authentication

ISO

GMP

FDA

HALAL

Display:default sort
Suppiers of more reward points first

New supplier

Total:101 Page 1 of 3 1 2 3 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

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)

What can I do for you?
Get Best Price

Get Best Price for 16184-89-7

Specification

The systematic name of 4'-Bromo-2,2,2-trifluoroacetophenone is 1-(4-bromophenyl)-2,2,2-trifluoroethanone. With the CAS registry number 16184-89-7, it is also named as Ethanone,1-(4-bromophenyl)-2,2,2-trifluoro-. The product is pale yellow transparent liquid, which should be stored in a sealed, cool and dry place. In addition, its molecular formula is C₈H₄BrF₃O and molecular weight is 253.02.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.906; (4)ACD/LogD (pH 7.4): 2.906; (5)ACD/BCF (pH 5.5): 95.226; (6)ACD/BCF (pH 7.4): 95.226; (7)ACD/KOC (pH 5.5): 907.826; (8)ACD/KOC (pH 7.4): 907.826; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.49; (14)Molar Refractivity: 44.428 cm³; (15)Molar Volume: 153.54 cm³; (16)Polarizability: 17.613×10^-24cm³; (17)Surface Tension: 32.489 dyne/cm; (18)Density: 1.648 g/cm³; (19)Flash Point: 98.883 °C; (20)Melting point: 26-30 °C; (21)Enthalpy of Vaporization: 47.679 kJ/mol; (22)Boiling Point: 239.891 °C at 760 mmHg; (23)Vapour Pressure: 0.039 mmHg at 25 °C.

Preparation of 4'-Bromo-2,2,2-trifluoroacetophenone: this chemical can be prepared by the reaction of trifluoroacetic acid ethyl ester with (4-bromo-phenyl)-lithium.

This reaction needs diethyl ether at temperature of -78 - 20 °C. The yield is 73 %.

Uses of 4'-Bromo-2,2,2-trifluoroacetophenone: it can react with ethynylbenzene to get 2,2,2-trifluoro-1-(4-phenylethynyl-phenyl)-ethanone.

This reaction needs CuI, (PPh₃)4Pd(0) and triethylamine by heating for 12 hours. The yield is 90 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
(1)SMILES: c1cc(ccc1C(=O)C(F)(F)F)Br
(2)InChI: InChI=1/C8H4BrF3O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H
(3)InChIKey: IHGSAQHSAGRWNI-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H4BrF3O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H
(5)Std. InChIKey: IHGSAQHSAGRWNI-UHFFFAOYSA-N