CAS No.149507-36-8,3-TRIFLUOROMETHYL-4-METHOXY-PHENYLBORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	149507-36-8
Name:	3-TRIFLUOROMETHYL-4-METHOXY-PHENYLBORONIC ACID
Article Data:	2

Formula:	C₈H₈BF₃O₃
Molecular Weight:	219.956
Synonyms:	Boronicacid, [4-methoxy-3-(trifluoromethyl)phenyl]- (9CI);(4-Methoxy-3-trifluoromethylphenyl)boronic acid;
Density:	1.36 g/cm³
Melting Point:	198-202 °C
Boiling Point:	321.6 °C at 760 mmHg
Flash Point:	148.3 °C
Hazard Symbols:	Xi
Risk Codes:	Xi:Irritant/Keep Cold; Xi:Irritant/Keep Cold;
PSA:	49.69000
LogP:	0.39380

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Specification

The 4-Methoxy-3-(trifluoromethyl)phenylboronic acid, with the CAS registry number 149507-36-8, is also known as 3-Trifluoromethyl-4-methoxy-phenylboronic acid. It belongs to the product categories of Blocks; BoronicAcids; FluoroCompounds. This chemical's molecular formula is C₈H₈BF₃O₃ and molecular weight is 219.95. Its IUPAC name is called [4-methoxy-3-(trifluoromethyl)phenyl]boronic acid. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of 4-Methoxy-3-(trifluoromethyl)phenylboronic acid: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.54; (4)ACD/LogD (pH 7.4): 2.43; (5)ACD/BCF (pH 5.5): 49.92; (6)ACD/BCF (pH 7.4): 38.62; (7)ACD/KOC (pH 5.5): 571.2; (8)ACD/KOC (pH 7.4): 441.84; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.464; (13)Molar Refractivity: 44.64 cm³; (14)Molar Volume: 161.5 cm³; (15)Surface Tension: 34.7 dyne/cm; (16)Density: 1.36 g/cm³; (17)Flash Point: 148.3 °C; (18)Enthalpy of Vaporization: 59.47 kJ/mol; (19)Boiling Point: 321.6 °C at 760 mmHg; (20)Vapour Pressure: 0.000122 mmHg at 25°C; (21)Melting Point: 198-202 °C; (22)Storage Temp.: Keep Cold.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: B(C1=CC(=C(C=C1)OC)C(F)(F)F)(O)O
(2)InChI: InChI=1S/C8H8BF3O3/c1-15-7-3-2-5(9(13)14)4-6(7)8(10,11)12/h2-4,13-14H,1H3
(3)InChIKey: BUSMBMGODABSIN-UHFFFAOYSA-N