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| CAS No.: | 36070-80-1 |
|---|---|
| Name: | 5-CHLORO-PYRAZINE-2-CARBOXYLIC ACID |
| Molecular Structure: | |
|
|
|
| Formula: | C5H3ClN2O2 |
| Molecular Weight: | 158.544 |
| Synonyms: | Pyrazinecarboxylicacid, 5-chloro- (9CI);5-Chloropyrazinoicacid; |
| EINECS: | 636-844-7 |
| Density: | 1.579 g/cm3 |
| Melting Point: | 150-151℃ |
| Boiling Point: | 330.9 °C at 760 mmHg |
| Flash Point: | 153.9 °C |
| Appearance: | light yellow solid powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| PSA: | 63.08000 |
| LogP: | 0.82820 |
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- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 33332-25-1
methyl 5-chloropyrazine-2-carboxylate
- 36070-80-1
5-chloropyrazinoic acid
| Conditions | Yield |
|---|---|
| With potassium carbonate In tetrahydrofuran; water at 25℃; for 42h; | 96% |
| Stage #1: methyl 5-chloropyrazine-2-carboxylate With methanol; sodium hydroxide; water In tetrahydrofuran at 0 - 20℃; for 5h; Stage #2: With hydrogenchloride In tetrahydrofuran; methanol; water | 92% |
| With hydrogenchloride; potassium carbonate In tetrahydrofuran; water | 91% |
- 34604-60-9
5-hydroxypyrazinoic acid
- 36070-80-1
5-chloropyrazinoic acid
| Conditions | Yield |
|---|---|
| With thionyl chloride In N,N-dimethyl-formamide at 80℃; for 16h; | 93% |
| With thionyl chloride; N,N-dimethyl-formamide for 16h; Reflux; | 75% |
| Multi-step reaction with 2 steps 1: thionyl chloride; N,N-dimethyl-formamide / 4 h / 75 °C 2: water View Scheme |
- 34604-60-9
4,5-dihydro-5-oxo-2-pyrazinecarboxylic acid
- 36070-80-1
5-chloropyrazinoic acid
| Conditions | Yield |
|---|---|
| With phosphorus pentachloride In toluene at 80℃; for 2h; Large scale; | 85.6% |
- 82619-63-4
2-chloro-5-furan-2-yl-pyrazine
- 36070-80-1
5-chloropyrazinoic acid
| Conditions | Yield |
|---|---|
| With potassium permanganate; Aliquat 336 In water; benzene at 0 - 40℃; for 4h; | 78% |
| With potassium permanganate; Aliquat 336 In water; benzene at 15 - 20℃; for 4.5h; | 76% |
- 82619-62-3
2-Hydroxy-5-(2'-furyl)pyrazine
- 36070-80-1
5-chloropyrazinoic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 52 percent / POCl3 / 3 h / Heating 2: 76 percent / KMnO4 / tricaprylmethylammonium chloride / benzene; H2O / 4.5 h / 15 - 20 °C View Scheme |
- 33332-25-1
methyl 5-chloropyrazine-2-carboxylate
- 111-27-3
hexan-1-ol
A
- 668972-67-6
5-(hexyloxy)pyrazine-2-carboxylic acid
B
- 668972-68-7
hexyl 5-hexyloxypyrazine-2-carboxylate
C
- 36070-80-1
5-chloropyrazinoic acid
| Conditions | Yield |
|---|---|
| Stage #1: hexan-1-ol With sodium at 60℃; for 0.75h; Stage #2: methyl 5-chloropyrazine-2-carboxylate at 50℃; for 0.583333h; |
- 88625-23-4
5-chloropyrazine-2-carbonyl chloride
- 36070-80-1
5-chloropyrazinoic acid
| Conditions | Yield |
|---|---|
| With water |
- 57005-60-4
1,6-dihydro-6-oxo-2,3-pyrazinedicarbonitrile
- 36070-80-1
5-chloropyrazinoic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1.1: sodium hydroxide / water / 6 h / 100 °C / Large scale 2.1: Aliquat 336 / sulfolane; toluene / 2.5 h / 150 °C / Dean-Stark; Large scale 2.2: Large scale 3.1: phosphorus pentachloride / toluene / 2 h / 80 °C / Large scale View Scheme |
- 36070-80-1
5-chloropyrazinoic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: Aliquat 336 / sulfolane; toluene / 2.5 h / 150 °C / Dean-Stark; Large scale 1.2: Large scale 2.1: phosphorus pentachloride / toluene / 2 h / 80 °C / Large scale View Scheme |
- 36070-80-1
5-chloropyrazinoic acid
- 34604-60-9
5-hydroxypyrazinoic acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide for 1h; Heating; | 100% |
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Chemistry
Product Name: 5-chloro-2-Pyrazinecarboxylic acid (CAS NO.36070-80-1)
Molecular Formula: C5H3ClN2O2
Molecular Weight: 158.54252g/mol
Mol File: 36070-80-1.mol
Boiling point: 330.9 °C at 760 mmHg
Flash Point: 153.9 °C
Density: 1.579 g/cm3
Surface Tension: 73.2 dyne/cm
Enthalpy of Vaporization: 60.53 kJ/mol
Vapour Pressure: 6.48E-05 mmHg at 25°C
XLogP3-AA: 0.1
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of 5-chloro-2-Pyrazinecarboxylic acid (CAS NO.36070-80-1):
IUPAC Name: 5-chloropyrazine-2-carboxylic acid
Canonical SMILES: C1=C(N=CC(=N1)Cl)C(=O)O
InChI: InChI=1S/C5H3ClN2O2/c6-4-2-7-3(1-8-4)5(9)10/h1-2H,(H,9,10)
InChIKey: FXJOTWLLDJYKAG-UHFFFAOYSA-N
Product Categories: Piperazine series; API intermediates; Pyrazines; Carboxylic Acids; Pyrazines, Pyrimidines & Pyridazines
Safety Profile
Safety Information of 5-chloro-2-Pyrazinecarboxylic acid (CAS NO.36070-80-1):
Hazard Codes: Xi
HazardClass: IRRITANT
Specification
5-chloro-2-Pyrazinecarboxylic acid , its CAS NO. is 36070-80-1, the synonyms are 5-Chloropyrazinoic acid ; Pyrazinecarboxylic acid, 5-chloro- .