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Cas Database |
| Name |
2-Chloro-3-cyanopyridine |
EINECS | 229-550-1 |
| CAS No. | 6602-54-6 | Density | 1.33 g/cm3 |
| PSA | 36.68000 | LogP | 1.60668 |
| Solubility | N/A | Melting Point |
104-107 °C(lit.) |
| Formula | C6H3ClN2 | Boiling Point | 257.6 °C at 760 mmHg |
| Molecular Weight | 138.556 | Flash Point | 109.6 °C |
| Transport Information | UN 3439 6.1/PG 3 | Appearance | white to light yellow crystal powder |
| Safety | 26-36-36/37/39 | Risk Codes | 20/21/22-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xn,  T,  Xi
|
| Synonyms |
Nicotinonitrile,2-chloro- (6CI,7CI,8CI);2-Chloro-3-pyridinecarbonitrile;3-Pyridinecarbonitrile,2-chloro-;3-Cyano-2-chloropyridine;NSC 73287; |
Article Data | 23 |
2-Chloro-3-cyanopyridine Synthetic route
- 20577-27-9
2-hydroxy-3-cyanopyridine
- 6602-54-6
2-chloro-3-pyridinecarbonitrile
| Conditions | Yield |
|---|---|
| With triethylamine; trichlorophosphate at 0 - 5℃; for 8.5h; Reagent/catalyst; Reflux; | 96.6% |
| With P,P-dichlorophenylphosphine oxide; phosphorus pentachloride at 160℃; for 5h; | 94.6% |
- 14906-64-0
3-cyanopyridine N-oxide
- 6602-54-6
2-chloro-3-pyridinecarbonitrile
| Conditions | Yield |
|---|---|
| With triethylamine; trichlorophosphate at 20 - 90℃; Temperature; | 96% |
| With bis(trichloromethyl) carbonate; N-benzyl-N,N,N-triethylammonium chloride; triethylamine; sodium chloride In 1,2-dichloro-ethane at -10 - 0℃; for 2h; Solvent; Reagent/catalyst; Temperature; | 91.41% |
| With oxalyl dichloride; triethylamine In dichloromethane at -70℃; for 0.5h; Inert atmosphere; regioselective reaction; | 90.3% |
| With POCl2 for 6h; Heating; | |
| With oxalyl dichloride; triethylamine In dichloromethane regioselective reaction; |
- 6602-54-6
2-chloro-3-pyridinecarbonitrile
| Conditions | Yield |
|---|---|
| With N-butylamine; triethylamine; trichlorophosphate In 1,2-dichloro-ethane at 10 - 100℃; for 10.3333h; Solvent; Reagent/catalyst; Temperature; | 93.2% |
- 36404-88-3
2-chloro-3-carbaldehydepyridine
- 6602-54-6
2-chloro-3-pyridinecarbonitrile
| Conditions | Yield |
|---|---|
| With pyridine; ammonium peroxydisulfate; tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; 4-acetylamino-2,2,6,6-tetramethyl-1-piperidinoxy In acetonitrile at 0.5℃; for 24h; Molecular sieve; Sealed tube; Irradiation; | 74% |
| Conditions | Yield |
|---|---|
| With trichlorophosphate for 3.5h; Heating; | 59% |
| With phosphorus pentachloride; trichlorophosphate at 115 - 120℃; |
- 100-54-9
pyridine-3-carbonitrile
A
- 6602-54-6
2-chloro-3-pyridinecarbonitrile
B
- 89284-61-7
4-chloro-nicotinonitrile
| Conditions | Yield |
|---|---|
| Stage #1: pyridine-3-carbonitrile With 2,2,6,6-tetramethyl-piperidine; n-butyllithium In tetrahydrofuran at -80℃; for 0.75h; Stage #2: With hexachloroethane In tetrahydrofuran at -80℃; for 0.75h; | A 7% B 37% |
| Stage #1: pyridine-3-carbonitrile With 2,2,6,6-tetramethyl-piperidine; n-butyllithium In tetrahydrofuran; hexane at -80℃; for 0.75h; Stage #2: With hexachloroethane In tetrahydrofuran; hexane at -80℃; for 0.75h; Further stages.; | A 7% B 37% |
- 36404-88-3
2-chloro-3-carbaldehydepyridine
A
- 6602-54-6
2-chloro-3-pyridinecarbonitrile
B
- 10366-35-5
2-chloronicotinamide
| Conditions | Yield |
|---|---|
| With pyridine; tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; ammonium peroxydisulfate; 4-acetylamino-2,2,6,6-tetramethyl-1-piperidinoxy; ammonium carbamate In water; acetonitrile at 20℃; for 18h; Irradiation; Sealed tube; | A 30% B n/a |
- 14906-64-0
3-cyanopyridine N-oxide
A
- 33252-28-7
6-chloronicotinonitrile
B
- 6602-54-6
2-chloro-3-pyridinecarbonitrile
C
- 89284-61-7
4-chloro-nicotinonitrile
| Conditions | Yield |
|---|---|
| With trichlorophosphate at 110℃; for 2h; Yield given. Yields of byproduct given; |
- 1986-81-8
nicotinamide N-oxide
A
- 33252-28-7
6-chloronicotinonitrile
B
- 6602-54-6
2-chloro-3-pyridinecarbonitrile
C
- 89284-61-7
4-chloro-nicotinonitrile
| Conditions | Yield |
|---|---|
| With trichlorophosphate for 3.5h; Heating; Yield given. Yields of byproduct given; |
- 19158-51-1
P-toluenesulfonyl cyanide
- 78607-36-0
2-chloro-3-iodopyridine
- 6602-54-6
2-chloro-3-pyridinecarbonitrile
| Conditions | Yield |
|---|---|
| With isopropylmagnesium bromide 1.) THF, -40 deg C, 0.5 h, 2.) THF, -40 to 0 deg C; Yield given. Multistep reaction; |
2-Chloro-3-cyanopyridine Specification
The 2-Chloro-3-cyanopyridine, with the CAS registry number 6602-54-6, is also known as 3-Cyano-2-chloropyridine.It belongs to the product Pharmaceutical Intermediates. Its EINECS number is 229-550-1. This chemical's molecular formula is C6H3ClN2 and molecular weight is 138.56.What's more,Its systematic name is 2-Chloronicotinonitrile.
Physical properties about 2-Chloro-3-cyanopyridine are:(1)ACD/LogP: 1.168; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.17; (4)ACD/LogD (pH 7.4): 1.17; (5)ACD/BCF (pH 5.5): 4.55; (6)ACD/BCF (pH 7.4): 4.55; (7)ACD/KOC (pH 5.5): 102.87; (8)ACD/KOC (pH 7.4): 102.87; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.566; (13)Molar Refractivity: 33.946 cm3; (14)Molar Volume: 104.13 cm3; (15)Surface Tension: 56.673999786377 dyne/cm; (16)Density: 1.331 g/cm3; (17)Flash Point: 109.591 °C; (18)Enthalpy of Vaporization: 49.516 kJ/mol; (19)Boiling Point: 257.596 °C at 760 mmHg; (20)Vapour Pressure: 0.0140000004321337 mmHg at 25°C.
2-Chloro-3-cyanopyridine may cause damage to health. 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. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately .
You can still convert the following datas into molecular structure:
(1)SMILES:N#Cc1cccnc1Cl;
(2)Std. InChI:InChI=1S/C6H3ClN2/c7-6-5(4-8)2-1-3-9-6/h1-3H;
(3)Std. InChIKey:JAUPUQRPBNDMDT-UHFFFAOYSA-N.
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