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CAS No.: | 43156-47-4 |
---|---|
Name: | 2-Nitro-5-(phenylthio)aniline |
Article Data: | 21 |
Molecular Structure: | |
Formula: | C12H10N2O2S |
Molecular Weight: | 246.29 |
Synonyms: | 1-Amino-2-nitro-5-phenylthiobenzene;2-Amino-4-phenylthio-1-nitrobenzene;Benzenamine,2-nitro-5-(phenylthio)-; |
EINECS: | 256-121-6 |
Density: | 1.37 g/cm3 |
Melting Point: | 145-146 °C |
Boiling Point: | 472.503 °C at 760 mmHg |
Flash Point: | 239.562 °C |
PSA: | 97.14000 |
LogP: | 4.43260 |
Conditions | Yield |
---|---|
With ammonia In isopropyl alcohol | 96.4% |
With ammonia In 2-methyl-propan-1-ol | 95.8% |
With potassium hydroxide In ethanol for 4h; Heating; | 83% |
Conditions | Yield |
---|---|
With potassium carbonate at 130 - 135℃; Temperature; Inert atmosphere; | 95.4% |
Conditions | Yield |
---|---|
With potassium carbonate at 150 - 160℃; Temperature; Inert atmosphere; | 94.3% |
2-nitro-5-phenylthioaniline
Conditions | Yield |
---|---|
With ammonia In methanol at 180 - 200℃; under 13501.4 - 26252.6 Torr; for 10h; Pressure; Solvent; Temperature; Autoclave; | 93.1% |
Conditions | Yield |
---|---|
With ammonia In isopropyl alcohol | 89.5% |
4-methylsulfanyl-thiophenol
A
2-Bromo-4-(4-methylsulphanylphenylsulphanyl)nitrobenzene
B
2-nitro-5-phenylthioaniline
5-chloro-2-nitroaniline
1,2-diamino-4-phenylthiobenzene
1-(methyl)-thiourea
thiophenol
methyl chloroformate
B
2-nitro-5-phenylthioaniline
Conditions | Yield |
---|---|
With sodium hydroxide In N-methyl-acetamide; water; potassium carbonate; acetic acid |
1,3-Dichlorobenzene
2-nitro-5-phenylthioaniline
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: nitric acid; sulfuric acid / 3 h / 10 - 15 °C 2: potassium hydroxide / 5,5-dimethyl-1,3-cyclohexadiene / 4 h / Reflux 3: ammonia / methanol / 10 h / 180 - 200 °C / 13501.4 - 26252.6 Torr / Autoclave View Scheme |
2,4-dichloronitrobenzene
2-nitro-5-phenylthioaniline
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: potassium hydroxide / 5,5-dimethyl-1,3-cyclohexadiene / 4 h / Reflux 2: ammonia / methanol / 10 h / 180 - 200 °C / 13501.4 - 26252.6 Torr / Autoclave View Scheme |
3-chloro-aniline
2-nitro-5-phenylthioaniline
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: nitric acid / acetic acid; sulfuric acid / 10.5 h / 20 - 25 °C 2: sodium hydroxide / methanol / 10.25 h / 90 - 95 °C View Scheme |
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Molecular Structure of 2-Nitro-5-(phenylthio)aniline (CAS NO.43156-47-4):
IUPAC Name: 2-Nitro-5-phenylsulfanylaniline
Canonical SMILES: C1=CC=C(C=C1)SC2=CC(=C(C=C2)[N+](=O)[O-])N
InChI: InChI=1S/C12H10N2O2S/c13-11-8-10(6-7-12(11)14(15)16)17-9-4-2-1-3-5-9/h1-8H,13H2
InChIKey: AJGJUXSVUPXOHL-UHFFFAOYSA-N
Molecular Weight: 246.285 [g/mol]
Molecular Formula: C12H10N2O2S
XLogP3: 3.3
H-Bond Donor: 1
H-Bond Acceptor: 3
EINECS: 256-121-6
Index of Refraction: 1.696
Molar Refractivity: 69.12 cm3
Molar Volume: 179.5 cm3
Surface Tension: 67.5 dyne/cm
Density: 1.37 g/cm3
Flash Point: 239.6 °C
Enthalpy of Vaporization: 73.55 kJ/mol
Boiling Point: 472.5 °C at 760 mmHg
Vapour Pressure: 4.26E-09 mmHg at 25 °C
Product Categories: API intermediates
2-Nitro-5-(phenylthio)aniline (CAS NO.43156-47-4), its Synonyms are 2-Nitro-5-(phenylthio)benzenamine ; 4-Phenylthio-2-aminonitrobenzene ; Benzenamine, 2-nitro-5-(phenylthio)- .