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| CAS No.: | 847756-88-1 |
|---|---|
| Name: | 3-CHLORO-4-(TRIFLUOROMETHYL)PHENYLBORONIC ACID |
| Molecular Structure: | |
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|
|
| Formula: | C7H5BClF3O2 |
| Molecular Weight: | 224.375 |
| Synonyms: | Boronicacid, [3-chloro-4-(trifluoromethyl)phenyl]- (9CI);[3-Chloro-4-(trifluoromethyl)phenyl]boronic acid;3-Chloro-4-(trifluoromethyl)phenylboronic acid;3-Chloro-4-trifluoromethylphenylboronic acid; |
| Density: | 1.49 g/cm3 |
| Melting Point: | 206-212 ºC |
| Boiling Point: | 294.7 ºC at 760 mmHg |
| Flash Point: | 132 ºC |
| Hazard Symbols: |
 C, Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 40.46000 |
| LogP: | 1.03860 |
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- Total:38 Page 1 of 1 1
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Specification
The Boronic acid,B-[3-chloro-4-(trifluoromethyl)phenyl]-, with the CAS registry number 847756-88-1, is also known as 3-Chloro-4-trifluoromethylphenylboronic acid. It belongs to the product categories of Blocks; Boronic Acids; FluoroCompounds. This chemical's molecular formula is C7H5BClF3O2 and molecular weight is 224.37. What's more, its IUPAC name is [3-chloro-4-(trifluoromethyl)phenyl]boronic acid.
Physical properties of Boronic acid,B-[3-chloro-4-(trifluoromethyl)phenyl]- are: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 18.46 Å2; (7)Index of Refraction: 1.484; (8)Molar Refractivity: 43.1 cm3; (9)Molar Volume: 150.4 cm3; (10)Polarizability: 17.08×10-24cm3; (11)Surface Tension: 36.9 dyne/cm; (12)Density: 1.49 g/cm3; (13)Flash Point: 140.3 °C; (14)Enthalpy of Vaporization: 57.97 kJ/mol; (15)Boiling Point: 308.3 °C at 760 mmHg; (16)Vapour Pressure: 0.000296 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: B(C1=CC(=C(C=C1)C(F)(F)F)Cl)(O)O
(2)InChI: InChI=1S/C7H5BClF3O2/c9-6-3-4(8(13)14)1-2-5(6)7(10,11)12/h1-3,13-14H
(3)InChIKey: OCHKTAGGJMWISO-UHFFFAOYSA-N