- 4-Bromo-3-methylpyridine
- 4-Bromo-3-methylpyridine hydrochloride
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Cas Database |
| Name |
4-Bromo-3-methylpyridine |
EINECS | -0 |
| CAS No. | 10168-00-0 | Density | 1.494 g/cm3 |
| PSA | 12.89000 | LogP | 2.15250 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6H6BrN | Boiling Point | 211.3 °C at 760 mmHg |
| Molecular Weight | 172.024 | Flash Point | 81.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes |
 Xi:; |
|
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
3-Picoline,4-bromo- (7CI,8CI);4-Bromo-5-methylpyridine; |
Article Data | 11 |
4-Bromo-3-methylpyridine Synthetic route
- 10168-58-8
4-bromo-3-methylpyridine 1-oxide
- 10168-00-0
4-bromo-3-methylpyridine
| Conditions | Yield |
|---|---|
| With sodium hypophosphite; palladium on activated charcoal In acetic acid at 60℃; for 1.5h; | 90% |
- 1990-90-5, 953018-16-1
4-amino-3-methylpyridine
- 10168-00-0
4-bromo-3-methylpyridine
| Conditions | Yield |
|---|---|
| Stage #1: 4-amino-3-methylpyridine With hydrogen bromide; sodium nitrite In water at -15 - -10℃; for 2.25h; Stage #2: With copper(I) bromide In water at -15 - 20℃; for 5h; | 52% |
- 626-55-1
3-Bromopyridine
- 4111-54-0
lithium diisopropyl amide
- 74-88-4
methyl iodide
A
- 1120-87-2
4-bromopyridin
B
- 10168-00-0
4-bromo-3-methylpyridine
C
- 3430-22-6
3-Bromo-4-methylpyridin
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at -60℃; Product distribution; Mechanism; temp. change; |
- 626-55-1
3-Bromopyridine
- 74-88-4
methyl iodide
A
- 10168-00-0
4-bromo-3-methylpyridine
B
- 3430-22-6
3-Bromo-4-methylpyridin
| Conditions | Yield |
|---|---|
| THF, -60 -> -55.deg C, 1) 15 min, 2) 45 min; Yield given. Multistep reaction. Yields of byproduct given; |
- 1074-98-2
3-methyl-4-nitropyridine N-oxide
- 10168-00-0
4-bromo-3-methylpyridine
| Conditions | Yield |
|---|---|
| With phosphorus tribromide In ethyl acetate for 0.5h; Heating; |
- 1003-73-2
3-picoline-N-oxide
- 10168-00-0
4-bromo-3-methylpyridine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 80 percent / HNO3; H2SO4 / 2 h / 100 - 105 °C 2: PBr3 / ethyl acetate / 0.5 h / Heating View Scheme |
- 10168-00-0
4-bromo-3-methylpyridine
| Conditions | Yield |
|---|---|
| With sodium hydroxide; phosphorus trichloride In water; 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran | |
| With phosphorus trichloride In dichloromethane at -20 - 20℃; for 0.5h; |
- 10168-00-0
4-bromo-3-methylpyridine
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water | |
| With sodium hydroxide In water |
- 10168-00-0
4-bromo-3-methylpyridine
- 10168-58-8
4-bromo-3-methylpyridine 1-oxide
| Conditions | Yield |
|---|---|
| With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 20℃; for 15h; | 97% |
| With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 20℃; for 5h; | 48% |
- 2401-24-3
2-chloro-5-methoxyaniline
- 10168-00-0
4-bromo-3-methylpyridine
| Conditions | Yield |
|---|---|
| With 2-(dicyclohexylphosphino)-2',4',6'-tri-1-propyl-1,1'-biphenyl; palladium diacetate; caesium carbonate In toluene at 100℃; for 16h; Microwave irradiation; Inert atmosphere; | 95% |
4-Bromo-3-methylpyridine Specification
The 4-Bromo-3-methylpyridine is an organic compound with the formula C6H6BrN. The IUPAC name of this chemical is 4-bromo-3-methylpyridine. With the CAS registry number 10168-00-0, it is also named as 4-(4-Chlorophenoxy)benzenamine. The product's categories are Pyridine; Pharmacetical; Pyridines; Boronic Acid.
Physical properties about 4-Bromo-3-methylpyridine are: (1)ACD/LogP: 2.00; (2)#H bond acceptors: 1; (3)Polar Surface Area: 12.89 Å2; (4)Index of Refraction: 1.553; (5)Molar Refractivity: 36.85 cm3; (6)Molar Volume: 115.1 cm3; (7)Polarizability: 14.61×10-24cm3; (8)Surface Tension: 40 dyne/cm; (9)Density: 1.494 g/cm3; (10)Flash Point: 81.6 °C; (11)Enthalpy of Vaporization: 42.94 kJ/mol; (12)Boiling Point: 211.3 °C at 760 mmHg; (13)Vapour Pressure: 0.266 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccncc1C
(2)InChI: InChI=1/C6H6BrN/c1-5-4-8-3-2-6(5)7/h2-4H,1H3
(3)InChIKey: GYUAOSJIGMDMNJ-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C6H6BrN/c1-5-4-8-3-2-6(5)7/h2-4H,1H3
(5)Std. InChIKey: GYUAOSJIGMDMNJ-UHFFFAOYSA-N
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