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| CAS No.: | 38642-74-9 |
|---|---|
| Name: | 2-Cyano-phenothiazine |
| Article Data: | 16 |
| Molecular Structure: | |
|
|
|
| Formula: | C13H8N2S |
| Molecular Weight: | 224.286 |
| Synonyms: | Phenothiazine-2-carbonitrile(6CI,7CI);2-Cyanophenothiazine;2-phenothiazinecarbonitrile ; 2-cyano phenothiazine,98.5+%;Phenothiazine-2-carbonitrile; |
| EINECS: | 254-057-3 |
| Density: | 1.38 g/cm3 |
| Melting Point: | 191-193°C |
| Boiling Point: | 427.6 °C at 760 mmHg |
| Flash Point: | 212.4 °C |
| Appearance: | Yellow Solid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | R36/37/38 |
| PSA: | 61.12000 |
| LogP: | 3.90448 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
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- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
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| Conditions | Yield |
|---|---|
| With nickel(II) acetylacetonate; potassium fluoride; phenylsilane; ammonia; zinc; bis(2-diphenylphosphinoethyl)phenylphosphine In 1-methyl-pyrrolidin-2-one at 90 - 140℃; under 760.051 Torr; for 20h; Sealed tube; | 94% |
| Conditions | Yield |
|---|---|
| With p-toluenesulfonyl chloride; sodium iodide; lithium iodide In quinoline at 120 - 230℃; for 16h; Reagent/catalyst; Temperature; | 92.6% |
| Conditions | Yield |
|---|---|
| With potassium iodide; lithium iodide In cyclohexane at 85 - 218℃; for 10h; Solvent; Inert atmosphere; | 90.2% |
- 1129-35-7
4-cyanobenzoic acid methyl ester
- 7643-08-5
2-(methylthio)-10H-phenothiazine
- 38642-74-9
10H-phenothiazine-2-carbonitrile
| Conditions | Yield |
|---|---|
| With bis(1,5-cyclooctadiene)nickel (0); 1,2-bis-(dicyclohexylphosphino)ethane In o-xylene at 140℃; for 24h; Glovebox; Inert atmosphere; | 54% |
- 214483-59-7
4-((2-aminophenyl)thio)-3-fluorobenzonitrile
A
- 38642-74-9
10H-phenothiazine-2-carbonitrile
B
- 28140-93-4
10H-phenothiazine-3-carbonitrile
| Conditions | Yield |
|---|---|
| With sodium hydride In N,N-dimethyl-formamide at 100℃; for 3h; | A 24% B 52% |
- 214483-59-7
4-((2-aminophenyl)thio)-3-fluorobenzonitrile
- 38642-74-9
10H-phenothiazine-2-carbonitrile
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide at 140℃; for 48h; | 30% |
- 1778-82-1
phenothiazine-2-carboxamide
- 38642-74-9
10H-phenothiazine-2-carbonitrile
| Conditions | Yield |
|---|---|
| With trichlorophosphate Heating; | |
| With trichlorophosphate In N,N-dimethyl-formamide at 0 - 20℃; for 1h; |
- 151079-75-3
2-(3'-cyanophenylaminophenyl)disulfide
A
- 38642-74-9
10H-phenothiazine-2-carbonitrile
B
- 151079-72-0
2-mercapto 3'-cyanodiphenylamine
| Conditions | Yield |
|---|---|
| With sodium hydride In N,N-dimethyl-formamide at 110℃; for 0.666667h; Yield given. Yields of byproduct given; |
| Conditions | Yield |
|---|---|
| With quinoline |
- 64248-62-0
3,4-Difluorobenzonitrile
- 38642-74-9
10H-phenothiazine-2-carbonitrile
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 1.) NaH / 1.) DMF, 0 deg C, 0.5 h, 2.) DMF, 0 deg C, 12 h 2: 30 percent / dimethylformamide / 48 h / 140 °C View Scheme | |
| Multi-step reaction with 2 steps 1: 1.) NaH / 1.) DMF, 0 deg C, 0.5 h, 2.) DMF, 0 deg C, 12 h 2: 24 percent / NaH / dimethylformamide / 3 h / 100 °C View Scheme |
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Chemistry
Molecular Structure of 10H-Phenothiazine-2-carbonitrile (CAS NO.38642-74-9):
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IUPAC Name: 10H-phenothiazine-2-carbonitrile
Empirical Formula: C13H8N2S
Molecular Weight: 224.281
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 0
Polar Surface Area: 52.33 Å2
Index of Refraction: 1.742
Molar Refractivity: 65.63 cm3
Molar Volume: 162.3 cm3
Surface Tension: 71.9 dyne/cm
Density: 1.38 g/cm3
Flash Point: 212.4 °C
Enthalpy of Vaporization: 68.26 kJ/mol
Boiling Point: 427.6 °C at 760 mmHg
Vapour Pressure: 1.62E-07 mmHg at 25°C
EINECS: 254-057-3
InChI
InChI=1/C13H8N2S/c14-8-9-5-6-13-11(7-9)15-10-3-1-2-4-12(10)16-13/h1-7,15H
Smiles
N1c2c(ccc(C#N)c2)Sc2c1cccc2
Specification
10H-Phenothiazine-2-carbonitrile , with CAS number of 38642-74-9, can be called Phenothiazine-2-carbonitrile ; 10h-phenothiazine-2-carbonitrile ; 2-cyano-phenothiazine ; 2-phenothiazinecarbonitrile ; 2-cyano phenothiazine,98.5+% ; 10h-phenothiazine-3-carbonitrile ; 2-Cyanophenothazine ; Phenothiazine-2-carbonitrile(6CI,7CI) .