Products Categories
| CAS No.: | 850593-06-5 |
|---|---|
| Name: | 3-FLUORO-5-METHYLBENZENEBORONIC ACID |
| Molecular Structure: | |
|
|
|
| Formula: | C7H8BFO2 |
| Molecular Weight: | 153.949 |
| Synonyms: | Boronicacid, (3-fluoro-5-methylphenyl)- (9CI);3-Fluoro-5-methylbenzeneboronic acid;5-Fluoro-3-methylphenylboronic acid;(3-Fluoro-5-methylphenyl)boronic acid; |
| Density: | 1.203 g/cm3 |
| Melting Point: | 216-222 °C |
| Boiling Point: | 295.989 °C at 760 mmHg |
| Flash Point: | 132.809 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 40.46000 |
| LogP: | -0.18610 |
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
- 911112-05-55-Iodo-3-(trifluoromethyl)-2-pyridinamine
What can I do for you?
Get Best Price
Specification
The systematic name of Boronic acid,B-(3-fluoro-5-methylphenyl)- is (3-fluoro-5-methylphenyl)boronic acid. With the CAS registry number 850593-06-5, it is also named as 3-Fluoro-5-methylbenzeneboronic acid. The product's categories are Blocks; Boronic Acids; Fluoro Compounds. In addition, its molecular formula is C7H8BFO2 and its molecular weight is 153.95.
The other characteristics of Boronic acid,B-(3-fluoro-5-methylphenyl)- can be summarized as: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 23; (6)ACD/BCF (pH 7.4): 14; (7)ACD/KOC (pH 5.5): 328; (8)ACD/KOC (pH 7.4): 202; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 40.46 Å2; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 38.024 cm3; (15)Molar Volume: 128.012 cm3; (16)Polarizability: 15.074×10-24cm3; (17)Surface Tension: 37.762 dyne/cm; (18)Density: 1.203 g/cm3; (19)Flash Point: 132.809 °C; (20)Melting Point: 216-222 °C; (21)Enthalpy of Vaporization: 56.576 kJ/mol; (22)Boiling Point: 295.989 °C at 760 mmHg; (23)Vapour Pressure: 0.001 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: OB(O)c1cc(C)cc(F)c1
(2)InChI: InChI=1/C7H8BFO2/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4,10-11H,1H3
(3)InChIKey: QQPLHUGOUZKARP-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C7H8BFO2/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4,10-11H,1H3
(5)Std. InChIKey: QQPLHUGOUZKARP-UHFFFAOYSA-N