-
Name
3-CHLORO-4-(TRIFLUOROMETHYL)PHENYLBORONIC ACID
- EINECS
- CAS No. 847756-88-1
- Density 1.49 g/cm3
- Solubility
- Melting Point 206-212 ºC
- Formula C7H5BClF3O2
- Boiling Point 294.7 ºC at 760 mmHg
- Molecular Weight 224.375
- Flash Point 132 ºC
- Transport Information
- Appearance
- Safety 26-36/37/39
- Risk Codes 36/37/38
-
Molecular Structure
-
Hazard Symbols
C,
Xi
- 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;
- PSA 40.46000
- LogP 1.03860
Boronic acid,B-[3-chloro-4-(trifluoromethyl)phenyl]- 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
Related Products
- Boronic acid, (10-[1,1'-biphenyl]-4-yl-9-anthracenyl)-
- Boronic acid, [2-[(2-methylphenoxy)methyl]phenyl]- (9CI)
- Boronic acid, 2,5-benzofurandiylbis-
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- Boronic acid, B-(3-chloro-5-methylphenyl)-
- Boronic acid, B-(3-cyano-2-fluorophenyl)-
- Boronic acid, B-[3-[[cyclopropyl[(4-methoxyphenyl)methyl]amino]sulfonyl]phenyl]-
- Boronic acid,(1-methyl-4-piperidinyl)- (9CI)
- Boronic acid,(2,4,5-trichlorophenyl)- (9CI)
- Boronic acid,(3-amino-5-nitrophenyl)- (9CI)
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