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2-Methoxy-4-trifluoromethoxyphenylboronic acid

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Name

2-Methoxy-4-trifluoromethoxyphenylboronic acid

EINECS N/A
CAS No. 355836-10-1 Density 1.406 g/cm3
PSA 58.92000 LogP 0.27360
Solubility N/A Melting Point N/A
Formula C8H8BF3O4 Boiling Point 312.9 °C at 760 mmHg
Molecular Weight 235.955 Flash Point 143.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 355836-10-1 (2-METHOXY-4-(TRIFLUOROMETHOXY)-PHENYLBORONIC ACID) Hazard Symbols N/A
Synonyms

Boronicacid, [2-methoxy-4-(trifluoromethoxy)phenyl]- (9CI);2-Methoxy-4-trifluoromethoxybenzeneboronic acid;2-Methoxy-4-trifluoromethoxyphenylboronic acid;[2-Methoxy-4-(trifluoromethoxy)phenyl]boronic acid;

Article Data 5

2-Methoxy-4-trifluoromethoxyphenylboronic acid Specification

The CAS registry number of Boronic acid,B-[2-methoxy-4-(trifluoromethoxy)phenyl]- is 355836-10-1. The IUPAC name is [2-methoxy-4-(trifluoromethoxy)phenyl]boronic acid. In addition, the molecular formula is C8H8BF3O4 and the molecular weight is 235.95. It should be stored in a cool and dry place.

Physical properties about Boronic acid,B-[2-methoxy-4-(trifluoromethoxy)phenyl]- are: (1)ACD/LogP: 2.34; (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): 35; (6)ACD/BCF (pH 7.4): 31; (7)ACD/KOC (pH 5.5): 444; (8)ACD/KOC (pH 7.4): 396; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 58.92 Å2; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 46.386 cm3; (15)Molar Volume: 167.774 cm3; (16)Polarizability: 18.389 ×10-24cm3; (17)Surface Tension: 36.599 dyne/cm; (18)Density: 1.406 g/cm3; (19)Flash Point: 143.063 °C; (20)Enthalpy of Vaporization: 58.49 kJ/mol; (21)Boiling Point: 312.943 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc(ccc1B(O)O)OC(F)(F)F
(2)InChI: InChI=1/C8H8BF3O4/c1-15-7-4-5(16-8(10,11)12)2-3-6(7)9(13)14/h2-4,13-14H,1H3
(3)InChIKey: AJCQJELUJDPGEY-UHFFFAOYAN

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