-
Name
2-Chloro-3-ethoxy-6-fluorophenylboronic acid
- EINECS
- CAS No. 957120-93-3
- Density 1.34 g/cm3
- Solubility
- Melting Point 127-129 ° C
- Formula C8H9BClFO3
- Boiling Point 366.8 °C at 760 mmHg
- Molecular Weight 218.42
- Flash Point 175.6 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2-Chloro-3-ethoxy-6-fluorophenylboronic acid;3-Borono-2-chloro-4-fluorophenyl ethyl ether, 3-Borono-2-chloro-4-fluorophenetole
- PSA 49.69000
- LogP 0.55760
Boronic acid,B-(2-chloro-3-ethoxy-6-fluorophenyl)- Specification
The Boronic acid,B-(2-chloro-3-ethoxy-6-fluorophenyl)- is an organic compound that the formula C8H9BClFO3. With the CAS registry number 957120-93-3, the systematic name of this chemical is (2-chloro-3-ethoxy-6-fluoro-phenyl)boronic acid. The product's categories are Blocks; Boronic Acids; FluoroCompounds.
The other characteristics of Boronic acid,B-(2-chloro-3-ethoxy-6-fluorophenyl)- can be summarized as: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.26; (4)ACD/LogD (pH 7.4): 2.07; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 49.69 Å2; (9)Index of Refraction: 1.52; (10)Molar Refractivity: 49.22 cm3; (11)Molar Volume: 161.8 cm3; (12)Polarizability: 19.51×10-24 cm3; (13)Surface Tension: 43.1 dyne/cm; (14)Density: 1.34 g/cm3; (15)Flash Point: 175.6 °C; (16)Enthalpy of Vaporization: 64.7 kJ/mol; (17)Boiling Point: 366.8 °C at 760 mmHg; (18)Vapour Pressure: 5.01E-06 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:B(c1c(ccc(c1Cl)OCC)F)(O)O
2. InChI:InChI=1/C8H9BClFO3/c1-2-14-6-4-3-5(11)7(8(6)10)9(12)13/h3-4,12-13H,2H2,1H3
3. InChIKey:OYOREJXDXHCMPQ-UHFFFAOYAU
4. Std. InChI:InChI=1S/C8H9BClFO3/c1-2-14-6-4-3-5(11)7(8(6)10)9(12)13/h3-4,12-13H,2H2,1H3
5. Std. InChIKey:OYOREJXDXHCMPQ-UHFFFAOYSA-N
Related Products
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