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Name
4-METHOXY-2-(TRIFLUOROMETHYL)PHENYLBORONIC ACID
- EINECS
- CAS No. 313546-16-6
- Density 1.361 g/cm3
- Solubility
- Melting Point 168-172 °C
- Formula C8H8BF3O3
- Boiling Point 314.12 °C at 760 mmHg
- Molecular Weight 219.956
- Flash Point 143.775 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
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Hazard Symbols
Xi
- Synonyms Boronicacid, [4-methoxy-2-(trifluoromethyl)phenyl]- (9CI);4-Methoxy-2-(trifluoromethyl)phenylboronic acid;
- PSA 49.69000
- LogP 0.39380
Boronic acid,B-[4-methoxy-2-(trifluoromethyl)phenyl]- Specification
The CAS register number of Boronic acid,B-[4-methoxy-2-(trifluoromethyl)phenyl]- is 313546-16-6. It also can be called as 4-Methoxy-2-(trifluoromethyl)-phenylboronic acid and the systematic name about this chemical is [4-methoxy-2-(trifluoromethyl)phenyl]boronic acid. The molecular formula about this chemical is C8H8BF3O3 and the molecular weight is 219.95. It belongs to the following product categories which include Boronic Acid; Aryl; Boronic Acids; Boronic Acids and Derivatives and so on.
Physical properties about Boronic acid,B-[4-methoxy-2-(trifluoromethyl)phenyl]- are: (1)ACD/LogP: 2.04; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 52; (5)ACD/BCF (pH 7.4): 49; (6)ACD/KOC (pH 5.5): 592; (7)ACD/KOC (pH 7.4): 552; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 49.69Å2; (12)Index of Refraction: 1.465; (13)Molar Refractivity: 44.644 cm3; (14)Molar Volume: 161.552 cm3; (15)Polarizability: 17.698x10-24cm3; (16)Surface Tension: 34.777 dyne/cm; (17)Enthalpy of Vaporization: 58.623 kJ/mol; (18)Boiling Point: 314.12 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc(c(cc1)B(O)O)C(F)(F)F
(2)InChI: InChI=1/C8H8BF3O3/c1-15-5-2-3-7(9(13)14)6(4-5)8(10,11)12/h2-4,13-14H,1H3
(3)InChIKey: ZBCRZEJNAADYKG-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C8H8BF3O3/c1-15-5-2-3-7(9(13)14)6(4-5)8(10,11)12/h2-4,13-14H,1H3
(5)Std. InChIKey: ZBCRZEJNAADYKG-UHFFFAOYSA-N
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