Products Categories
| CAS No.: | 850568-01-3 |
|---|---|
| Name: | (2-BROMOMETHYL-4-FLUOROBENZENE)BORONIC ACID |
| Molecular Structure: | |
|
|
|
| Formula: | C7H7BBrFO2 |
| Molecular Weight: | 232.84 |
| Synonyms: | Boronicacid, [2-(bromomethyl)-4-fluorophenyl]- (9CI);2-(Bromomethyl)-4-fluorobenzeneboronic acid;2-Borono-5-fluorobenzyl bromide; |
| Density: | 1.64 g/cm3 |
| Melting Point: | 169-171 °C |
| Boiling Point: | 343.1 °C at 760 mmHg |
| Flash Point: | 161.3 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 40.46000 |
| LogP: | 0.40040 |
- 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
- Total:26 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
The systematic name of Boronic acid,B-[2-(bromomethyl)-4-fluorophenyl]- is [2-(bromomethyl)-4-fluoro-phenyl]boronic acid. With the CAS registry number 850568-01-3, it is also named as 2-Borono-5-fluorobenzyl bromide. The product's categories are Blocks; Boronic Acids; Bromides; Fluoro Compounds. It should be stored in cold place. In addition, its molecular formula is C7H7BBrFO2 and its molecular weight is 232.84.
The other characteristics of Boronic acid,B-[2-(bromomethyl)-4-fluorophenyl]- can be summarized as: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.34; (4)ACD/LogD (pH 7.4): 2.31; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 40.46 Å2; (9)Index of Refraction: 1.559; (10)Molar Refractivity: 45.75 cm3; (11)Molar Volume: 141.5 cm3; (12)Polarizability: 18.13×10-24cm3; (13)Surface Tension: 46.8 dyne/cm; (14)Density: 1.64 g/cm3; (15)Flash Point: 161.3 °C; (16)Melting Point: 169-171 °C; (17)Enthalpy of Vaporization: 61.94 kJ/mol; (18)Boiling Point: 343.1 °C at 760 mmHg; (19)Vapour Pressure: 2.76E-05 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: B(c1ccc(cc1CBr)F)(O)O
(2)InChI: InChI=1/C7H7BBrFO2/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-3,11-12H,4H2
(3)InChIKey: SAHGEZUSQVBFDM-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C7H7BBrFO2/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-3,11-12H,4H2
(5)Std. InChIKey: SAHGEZUSQVBFDM-UHFFFAOYSA-N