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Cas Database |
| Name |
6-Chloro-2,3-diaminopyridine |
EINECS | 214-589-6 |
| CAS No. | 40851-95-4 | Density | 1.448 g/cm3 |
| PSA | 64.93000 | LogP | 2.06180 |
| Solubility | N/A | Melting Point |
132.0 to 136.0 °C |
| Formula | C5H6ClN3 | Boiling Point | 360.216 °C at 760 mmHg |
| Molecular Weight | 143.576 | Flash Point | 171.653 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 22-36/37-45-37-28 | Risk Codes | 22-36/37/38-42/43-33-23/24/25 |
| Molecular Structure |
|
Hazard Symbols | Xn |
| Synonyms |
Pyridine,2,3-diamino-6-chloro- (6CI,7CI);2,3-Diamino-6-chloropyridine;6-Chloropyridine-2,3-diamine; |
Article Data | 34 |
6-Chloro-2,3-diaminopyridine Synthetic route
- 146015-42-1
6-chloro-2-nitropyridine-3-amine
- 40851-95-4
6-chloropyridine-2,3-diamine
| Conditions | Yield |
|---|---|
| With hydrogen; Raney nickel In methanol at 20℃; for 24h; | 95.6% |
| With hydrogen In methanol at 20℃; for 24h; | 95.6% |
| With methanol at 20℃; for 24h; | |
| With Raney nickel In methanol at 20℃; for 24h; | |
| With Raney Nickel In methanol at 20℃; for 24h; |
- 27048-04-0
2-amino-6-chloro-3-nitropyridine
- 40851-95-4
6-chloropyridine-2,3-diamine
| Conditions | Yield |
|---|---|
| With iron; ammonium chloride In water; ethyl acetate at 20℃; for 24h; | 93.7% |
| With iron; ammonium chloride In water; isopropyl alcohol at 90℃; for 1h; | 91% |
| With sodium tetrahydroborate In ethanol; water at 20℃; for 4h; chemoselective reaction; | 91% |
A
- 452-58-4
2,3-Diaminopyridine
B
- 40851-95-4
6-chloropyridine-2,3-diamine
| Conditions | Yield |
|---|---|
| With palladium 10% on activated carbon; hydrogen; sodium hydrogencarbonate In methanol at 20℃; under 760.051 Torr; for 2h; Sealed tube; Overall yield = 87 %Spectr.; chemoselective reaction; | A 45% B 42% |
- 27048-04-0
2-amino-6-chloro-3-nitropyridine
- 75-65-0
tert-butyl alcohol
A
- 40851-95-4
6-chloropyridine-2,3-diamine
B
- 1426845-56-8
N3-(tert-butyl)-6-chloropyridine-2,3-diamine
| Conditions | Yield |
|---|---|
| Stage #1: 2-amino-6-chloro-3-nitropyridine; tert-butyl alcohol With tin(II) chloride dihdyrate In ethyl acetate at 60℃; for 1h; Stage #2: With sodium tetrahydroborate In ethyl acetate at 60℃; for 3h; | A 43% B 30% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; tin |
- 139087-01-7
ethyl (2-acetamido-6-chloro-3-pyridyl)aminomethylenemalonate
- 40851-95-4
6-chloropyridine-2,3-diamine
| Conditions | Yield |
|---|---|
| With PPA at 80℃; for 0.166667h; |
- 7647-01-0
hydrogenchloride
- 4214-75-9
2-amino-3-nitropyridine
A
- 452-58-4
2,3-Diaminopyridine
B
- 40851-95-4
6-chloropyridine-2,3-diamine
- 4214-75-9
2-amino-3-nitropyridine
A
- 40851-95-4
6-chloropyridine-2,3-diamine
| Conditions | Yield |
|---|---|
| With hydrogenchloride; tin |
- 16013-85-7
2,6-dicholoro-3-nitropyridine
- 40851-95-4
6-chloropyridine-2,3-diamine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1: 75 percent / NH3 / ethanol 2: 92 percent / acetic acid, conc. H2SO4 / 2 h / Heating 3: aluminum amalgam, water / ethanol / 4 h / 40 °C 4: 52 percent / 2 h / 100 °C 5: 85percent polyphosphoric acid / 0.17 h / 80 °C View Scheme | |
| Multi-step reaction with 2 steps 1: 75 percent / NH3 / ethanol 2: aluminum amalgam, water / ethanol / 4 h / 40 °C View Scheme | |
| Multi-step reaction with 2 steps 1: ammonia / ethanol / 0 - 20 °C 2: ammonium chloride; iron / ethyl acetate; water / 24 h / 20 °C View Scheme |
- 139086-98-9
2-acetamido-3-amino-6-chloropyridine
- 40851-95-4
6-chloropyridine-2,3-diamine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 52 percent / 2 h / 100 °C 2: 85percent polyphosphoric acid / 0.17 h / 80 °C View Scheme |
6-Chloro-2,3-diaminopyridine Specification
The 6-Chloro-2,3-diaminopyridine is an organic compound with the formula C5H6ClN3. The systematic name of this chemical is 6-chloropyridine-2,3-diamine. With the CAS registry number 40851-95-4, it is also named as 2,3-pyridinediamine, 6-chloro-.
Physical properties about 6-Chloro-2,3-diaminopyridine are: (1)ACD/LogP: 0.92; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 7; (5)ACD/BCF (pH 7.4): 7; (6)ACD/KOC (pH 5.5): 146; (7)ACD/KOC (pH 7.4): 146; (8)#H bond acceptors: 3; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 64.93 Å2; (12)Index of Refraction: 1.685; (13)Molar Refractivity: 37.711 cm3; (14)Molar Volume: 99.168 cm3; (15)Polarizability: 14.95×10-24cm3; (16)Surface Tension: 72.085 dyne/cm; (17)Density: 1.448 g/cm3; (18)Flash Point: 171.653 °C; (19)Enthalpy of Vaporization: 60.59 kJ/mol; (20)Boiling Point: 360.216 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(N)c(N)cc1
(2)InChI: InChI=1/C5H6ClN3/c6-4-2-1-3(7)5(8)9-4/h1-2H,7H2,(H2,8,9)
(3)InChIKey: QEIRYIILFUVXAM-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C5H6ClN3/c6-4-2-1-3(7)5(8)9-4/h1-2H,7H2,(H2,8,9)
(5)Std. InChIKey: QEIRYIILFUVXAM-UHFFFAOYSA-N
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