Boronic acid,[2-methoxy-5-(trifluoromethoxy)phenyl]- (9CI) supplier

Name
2-ISOPROPOXY-5-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID
EINECS
CAS No. 290832-43-8
Article Data2
CAS DataBase
Density 1.406
Solubility
Melting Point
Formula C₈H₈ B F₃ O₄
Boiling Point 324.549 ºCat 760 mmHg
Molecular Weight 235.955
Flash Point 150.082 ºC
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-ISOPROPOXY-5-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID
PSA 58.92000
LogP 0.27360

Boronic acid,[2-methoxy-5-(trifluoromethoxy)phenyl]- (9CI) Specification

The Boronic acid,[2-methoxy-5-(trifluoromethoxy)phenyl]- (9CI), with the cas registry number 290832-43-8, has the systematic name of [2-methoxy-5-(trifluoromethoxy)phenyl]boronic acid.

The physical properties of this chemical are as follows: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 47; (6)ACD/BCF (pH 7.4): 24; (7)ACD/KOC (pH 5.5): 543; (8)ACD/KOC (pH 7.4): 278; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 58.92 ; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 46.386 cm³; (15)Molar Volume: 167.774 cm³; (16)Polarizability: 18.389×10^-24 cm³; (17)Surface Tension: 36.599 dyne/cm; (18)Density: 1.406 g/cm³; (19)Flash Point: 150.082 °C; (20)Enthalpy of Vaporization: 59.812 kJ/mol; (21)Boiling Point: 324.549 °C at 760 mmHg.

In addition, you could convert the following datas into the molecular structure:
(1)SMILES:COc1ccc(cc1B(O)O)OC(F)(F)F
(2)InChI:InChI=1/C8H8BF3O4/c1-15-7-3-2-5(16-8(10,11)12)4-6(7)9(13)14/h2-4,13-14H,1H3
(3)InChIKey:PZDNMFGRXYPDJA-UHFFFAOYAR

Product Name

2-ISOPROPOXY-5-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID

Boronic acid,[2-methoxy-5-(trifluoromethoxy)phenyl]- (9CI) Specification

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