CAS No.1423-27-4,2-Trifluoromethylphenylboronic acid Suppliers

Products Categories

Pharmaceutical (89)
Organic Chemicals (43)
Others (26)
Materials (13)
Reagent (7)
Basic Inorganic Chemicals (1)

Basic Information

Molecular Structure:
CAS No.:	1423-27-4
Name:	2-Trifluoromethylphenylboronic acid
Article Data:	7

Formula:	C₇H₆BF₃O₂
Molecular Weight:	189.93
Synonyms:	Boronicacid, [2-(trifluoromethyl)phenyl]- (9CI);o-Tolueneboronic acid, a,a,a-trifluoro-(7CI,8CI);2-Trifluoromethylphenylboronicacid;
EINECS:	-0
Density:	1.36 g/cm³
Melting Point:	111-114 °C
Boiling Point:	274.5 °C at 760 mmHg
Flash Point:	119.8 °C
Appearance:	white to light beige crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	37/39-26-36
PSA:	40.46000
LogP:	0.38520

Total:142 Page 1 of 4 1 2 3 4 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 1423-27-4

Specification

The IUPAC name of 2-(Trifluoromethyl)phenylboronic acid is [2-(trifluoromethyl)phenyl]boronic acid. With the CAS registry number 1423-27-4, it is also named as 2-Trifluoromethylbenzeneboronic acid. The product's categories are Blocks; Boronic Acids; Fluoro Compounds; Substituted Boronic Acids; Boronic Acids & Esters; Phenyls & Phenyl-Het; Aryl; Boronic acid; Organoborons; B (Classes of Boron Compounds); Boronic Acids; Boronic Acid Series; Boronic Acids & Esters; Phenyls & Phenyl-Het; Boronic Acids; Boronic Acids and Derivatives. Besides, it is white to light beige crystalline powder, which should be stored in sealed place at 0-6 °C. In addition, its molecular formula is C₇H₆BF₃O₂ and molecular weight is 189.93.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.16; (4)ACD/LogD (pH 7.4): 2.08; (5)ACD/BCF (pH 5.5): 25.78; (6)ACD/BCF (pH 7.4): 21.61; (7)ACD/KOC (pH 5.5): 356.05; (8)ACD/KOC (pH 7.4): 298.42; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 38.27 cm³; (15)Molar Volume: 139.3 cm³; (16)Polarizability: 15.17×10^-24cm³; (17)Surface Tension: 32.8 dyne/cm; (18)Density: 1.36 g/cm³; (19)Flash Point: 119.8 °C; (20)Melting point: 111-114 °C; (21)Enthalpy of Vaporization: 54.18 kJ/mol; (22)Boiling Point: 274.5 °C at 760 mmHg; (23)Vapour Pressure: 0.00262 mmHg at 25 °C.

Uses of 2-(Trifluoromethyl)phenylboronic acid: it can react with 4,6-Dichloro-2-methyl-5-nitro-pyrimidine to get 4-Chloro-2-methyl-5-nitro-6-(2-trifluoromethyl-phenyl)-pyrimidine.

This reaction needs (Ph₃P)₄Pd, 1M aq. Na₂CO₃ and Benzene by heating. The yield is 55 %.

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, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: FC(F)(F)c1ccccc1B(O)O
(2)InChI: InChI=1/C7H6BF3O2/c9-7(10,11)5-3-1-2-4-6(5)8(12)13/h1-4,12-13H
(3)InChIKey: JNSBEPKGFVENFS-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C7H6BF3O2/c9-7(10,11)5-3-1-2-4-6(5)8(12)13/h1-4,12-13H
(5)Std. InChIKey: JNSBEPKGFVENFS-UHFFFAOYSA-N