Boronic acid,B-[4-(1-methylethoxy)-2-(trifluoromethyl)phenyl]- supplier

Name
4-ISOPROPOXY-2-(TRIFLUOROMETHYL)PHENYLBORONIC ACID
EINECS
CAS No. 313545-40-3
Density 1.27 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₂BF₃O₃
Boiling Point 333.561 °C at 760 mmHg
Molecular Weight 248.01
Flash Point 155.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Boronicacid, [4-(1-methylethoxy)-2-(trifluoromethyl)phenyl]- (9CI);(4-Isopropoxy-2-trifluoromethylphenyl)boronic acid;
PSA 49.69000
LogP 1.17240

Boronic acid,B-[4-(1-methylethoxy)-2-(trifluoromethyl)phenyl]- Specification

The CAS register number of Boronic acid,B-[4-(1-methylethoxy)-2-(trifluoromethyl)phenyl]- is 313545-40-3. It also can be called as 4-Isopropoxy-2-(trifluoromethyl)benzeneboronic acid and the systematic name about this chemical is [4-(propan-2-yloxy)-2-(trifluoromethyl)phenyl]boronic acid. The molecular formula about this chemical is C₁₀H₁₂BF₃O₃ and the molecular weight is 248.01. It belongs to the Boronic Acid.

Physical properties about Boronic acid,B-[4-(1-methylethoxy)-2-(trifluoromethyl)phenyl]- are: (1)ACD/LogP: 2.90; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 244; (5)ACD/BCF (pH 7.4): 220; (6)ACD/KOC (pH 5.5): 1780; (7)ACD/KOC (pH 7.4): 1605; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 49.69Å²; (12)Index of Refraction: 1.465; (13)Molar Refractivity: 53.882 cm³; (14)Molar Volume: 194.834 cm³; (15)Polarizability: 21.36x10^-24cm³; (16)Surface Tension: 33.984 dyne/cm; (17)Enthalpy of Vaporization: 60.844 kJ/mol; (18)Boiling Point: 333.561 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)Oc1cc(c(cc1)B(O)O)C(F)(F)F
(2)InChI: InChI=1/C10H12BF3O3/c1-6(2)17-7-3-4-9(11(15)16)8(5-7)10(12,13)14/h3-6,15-16H,1-2H3
(3)InChIKey: MQWMPOPSYRZCAI-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C10H12BF3O3/c1-6(2)17-7-3-4-9(11(15)16)8(5-7)10(12,13)14/h3-6,15-16H,1-2H3
(5)Std. InChIKey: MQWMPOPSYRZCAI-UHFFFAOYSA-N

Product Name

4-ISOPROPOXY-2-(TRIFLUOROMETHYL)PHENYLBORONIC ACID

Boronic acid,B-[4-(1-methylethoxy)-2-(trifluoromethyl)phenyl]- Specification

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