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