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Cas Database |
| Name |
2-Cyano-5-fluorobenzyl bromide |
EINECS | N/A |
| CAS No. | 421552-12-7 | Density | 1.591 g/cm3 |
| PSA | 23.79000 | LogP | 2.59228 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C8H5BrFN | Boiling Point | 264.468 °C at 760 mmHg |
| Molecular Weight | 214.037 | Flash Point | 113.746 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols |
 C
|
| Synonyms |
2-Bromomethyl-4-fluorobenzonitrile; |
Article Data | 18 |
2-Cyano-5-fluorobenzyl bromide Synthetic route
- 147754-12-9
4-fluoro-2-methylbenzonitrile
- 421552-12-7
2-(bromomethyl)-4-fluorobenzonitrile
| Conditions | Yield |
|---|---|
| With N-Bromosuccinimide; toluene-4-sulfonic acid In tetrachloromethane for 4h; Heating; | 86% |
| With N-Bromosuccinimide; toluene-4-sulfonic acid In tetrachloromethane Reflux; | 86% |
| With N-Bromosuccinimide; dibenzoyl peroxide In chloroform at 85℃; for 24h; Inert atmosphere; | 58% |
- 452-63-1
2-Bromo-5-fluorotoluene
- 421552-12-7
2-(bromomethyl)-4-fluorobenzonitrile
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: N,N-dimethyl-formamide / Reflux 2: N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) / 2 h / Reflux; Inert atmosphere View Scheme | |
| Multi-step reaction with 2 steps 1: N,N-dimethyl-formamide / 24 h / Reflux 2: N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) / tetrachloromethane / 2 h / Inert atmosphere; Reflux View Scheme | |
| Multi-step reaction with 2 steps 1: N,N-dimethyl-formamide / 24 h / Reflux 2: N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) / tetrachloromethane / 2 h / Reflux; Inert atmosphere View Scheme |
- 4318-56-3
3-methyl-6-chlorouracil
- 421552-12-7
2-(bromomethyl)-4-fluorobenzonitrile
- 865759-24-6
2-[(6-chloro-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)methyl]-4-fluorobenzonitrile
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine In 1-methyl-pyrrolidin-2-one at 20 - 55℃; for 4h; Time; Temperature; | 98.9% |
| With N-ethyl-N,N-diisopropylamine In butan-1-ol at 107℃; for 2h; Solvent; Temperature; Reagent/catalyst; | 96.6% |
| With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 65 - 75℃; for 6h; Temperature; Solvent; Large scale; | 96.3% |
- 106-49-0
p-toluidine
- 421552-12-7
2-(bromomethyl)-4-fluorobenzonitrile
| Conditions | Yield |
|---|---|
| With sodium ethanolate In tetrahydrofuran at 60℃; for 8h; Reflux; | 95% |
| With potassium carbonate In dimethyl sulfoxide |
- 421552-12-7
2-(bromomethyl)-4-fluorobenzonitrile
| Conditions | Yield |
|---|---|
| Stage #1: 2-(bromomethyl)-4-fluorobenzonitrile With diisobutylaluminium hydride In hexane; dichloromethane at 0 - 20℃; for 3.5h; Inert atmosphere; Stage #2: With hydrogenchloride; water In hexane; dichloromethane at 0℃; for 1h; Inert atmosphere; | 94% |
| With diisobutylaluminium hydride In hexane; dichloromethane at 0 - 20℃; for 3.5h; Inert atmosphere; | 94% |
- 89292-70-6
4-(piperazin-1-ylmethyl)benzonitrile
- 421552-12-7
2-(bromomethyl)-4-fluorobenzonitrile
| Conditions | Yield |
|---|---|
| With potassium carbonate In acetone at 20℃; | 89% |
- 107890-32-4
1-(4-trifluoromethylbenzyl)piperazine
- 421552-12-7
2-(bromomethyl)-4-fluorobenzonitrile
| Conditions | Yield |
|---|---|
| With potassium carbonate In acetone at 20℃; | 88% |
- 1245811-20-4
2-chloro-3H,4H-thieno[3,2-d]pyrimidin-4-one
- 421552-12-7
2-(bromomethyl)-4-fluorobenzonitrile
| Conditions | Yield |
|---|---|
| Stage #1: 2-chloro-3H,4H-thieno[3,2-d]pyrimidin-4-one With sodium hydride In 1,2-dimethoxyethane; N,N-dimethyl-formamide for 0.333333h; Cooling with ice; Stage #2: With lithium bromide In 1,2-dimethoxyethane; N,N-dimethyl-formamide at 20℃; for 0.5h; Stage #3: 2-(bromomethyl)-4-fluorobenzonitrile In 1,2-dimethoxyethane; N,N-dimethyl-formamide at 65℃; for 14h; | 85.3% |
| Stage #1: 2-chloro-3H,4H-thieno[3,2-d]pyrimidin-4-one With sodium hydride In 1,2-dimethoxyethane; N,N-dimethyl-formamide; mineral oil at 0℃; for 0.333333h; Stage #2: With lithium bromide In 1,2-dimethoxyethane; N,N-dimethyl-formamide; mineral oil at 20℃; for 0.25h; Stage #3: 2-(bromomethyl)-4-fluorobenzonitrile In 1,2-dimethoxyethane; N,N-dimethyl-formamide; mineral oil at 65℃; for 6h; |
- 69628-75-7
1-phenylethyl piperazine
- 421552-12-7
2-(bromomethyl)-4-fluorobenzonitrile
| Conditions | Yield |
|---|---|
| With potassium carbonate In acetone at 20℃; | 85% |
- 57260-71-6
1-t-Butoxycarbonylpiperazine
- 421552-12-7
2-(bromomethyl)-4-fluorobenzonitrile
| Conditions | Yield |
|---|---|
| With potassium carbonate In acetone at 20℃; | 85% |
| With potassium carbonate In acetone at 20℃; | 85% |
| With potassium carbonate at 20℃; |
2-Cyano-5-fluorobenzyl bromide Specification
The Benzonitrile,2-(bromomethyl)-4-fluoro-, with the CAS registry number 421552-12-7, is also known as 2-Cyanobenzo-5-fluorobenzyl bromide. This chemical's molecular formula is C8H5BrFN and molecular weight is 214.0344. Its systematic name is called 2-(bromomethyl)-4-fluorobenzonitrile. When you are using this chemical, please be cautious about it. This chemical may destroy living tissue on contact.
Physical properties of Benzonitrile,2-(bromomethyl)-4-fluoro-: (1)ACD/LogP: 2.26; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 39; (5)ACD/BCF (pH 7.4): 39; (6)ACD/KOC (pH 5.5): 480; (7)ACD/KOC (pH 7.4): 480; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.564; (11)Molar Refractivity: 43.785 cm3; (12)Molar Volume: 134.548 cm3; (13)Surface Tension: 46.582 dyne/cm; (14)Density: 1.591 g/cm3; (15)Flash Point: 113.746 °C; (16)Enthalpy of Vaporization: 50.235 kJ/mol; (17)Boiling Point: 264.468 °C at 760 mmHg; (18)Vapour Pressure: 0.01 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc(F)cc1CBr
(2)InChI: InChI=1/C8H5BrFN/c9-4-7-3-8(10)2-1-6(7)5-11/h1-3H,4H2
(3)InChIKey: CHCAGFNTASDQFX-UHFFFAOYAK
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