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| CAS No.: | 36650-74-5 |
|---|---|
| Name: | 1H-Pyrazole-3-carbonitrile |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C4H3N3 |
| Molecular Weight: | 93.0879 |
| Synonyms: | 5-Cyanopyrazole;Pyrazole-3-carbonitrile; |
| Density: | 1.29 g/cm3 |
| Boiling Point: | 317.427 °C at 760 mmHg |
| Flash Point: | 114.009 °C |
| PSA: | 52.47000 |
| LogP: | 0.28138 |
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1H-pyrazole-3-carboxamide
- 36650-74-5
pyrazolecarbonitrile
| Conditions | Yield |
|---|---|
| at 335℃; for 1h; Temperature; | 85% |
| With sodium chloride; trichlorophosphate In acetonitrile at 80℃; |
- 36650-74-5
pyrazolecarbonitrile
| Conditions | Yield |
|---|---|
| at 20℃; for 1h; Elimination; | 65% |
- 87879-93-4
4-diazo-1,1,1,2,2-pentafluoro-3-pentafluoroethyl-3-trifluoromethylbutane
- 107-13-1
acrylonitrile
- 36650-74-5
pyrazolecarbonitrile
| Conditions | Yield |
|---|---|
| for 240h; | 47% |
- 186581-53-3, 908094-01-9
diazomethane
- 205251-17-8
(Z)-3-[(R)-p-tolylsulfinyl]propenonitrile
- 36650-74-5
pyrazolecarbonitrile
| Conditions | Yield |
|---|---|
| In diethyl ether at -10℃; |
- 30192-58-6
1H-pyrazole-3-carbxaldehyde oxime
- 36650-74-5
pyrazolecarbonitrile
| Conditions | Yield |
|---|---|
| With acetic anhydride at 100℃; for 5h; |
- 36650-74-5
pyrazolecarbonitrile
| Conditions | Yield |
|---|---|
| With potassium carbonate In dimethyl sulfoxide at 120℃; for 12h; | 87.6% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride In chloroform for 3.83333h; Cooling with acetone-dry ice; | 81% |
| With hydrogenchloride In chloroform for 3h; Cooling with acetone-dry ice; |
- 36650-74-5
pyrazolecarbonitrile
| Conditions | Yield |
|---|---|
| With nitric acid; acetic anhydride; trifluoroacetic acid at 5 - 10℃; for 2h; | 80% |
- 36650-74-5
pyrazolecarbonitrile
| Conditions | Yield |
|---|---|
| With sodium azide; triethylamine hydrochloride In toluene at 110℃; for 10h; | 79% |
| With sodium azide; zinc dibromide In N,N-dimethyl-formamide at 175℃; for 0.333333h; microwave irradiation; |
- 36650-74-5
pyrazolecarbonitrile
- 85118-01-0
alpha-bromo-3,4-difluorotoluene
| Conditions | Yield |
|---|---|
| With caesium carbonate In N,N-dimethyl-formamide at 20℃; Inert atmosphere; | A 75% B n/a |
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Specification
The 1H-Pyrazole-3-carbonitrile is an organic compound with the formula C4H3N3. The IUPAC name of this chemical is 1H-pyrazole-5-carbonitrile. With the CAS registry number 36650-74-5, it is also named as pyrazole-3-carbonitrile.
Physical properties about 1H-Pyrazole-3-carbonitrile are: (1)ACD/LogP: 0.38; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 18; (5)ACD/KOC (pH 7.4): 17; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)Polar Surface Area: 52.47 Å2; (9)Index of Refraction: 1.551; (10)Molar Refractivity: 23.044 cm3; (11)Molar Volume: 72.179 cm3; (12)Polarizability: 9.135×10-24cm3; (13)Surface Tension: 71.563 dyne/cm; (14)Density: 1.29 g/cm3; (15)Flash Point: 114.009 °C; (16)Enthalpy of Vaporization: 55.884 kJ/mol; (17)Boiling Point: 317.427 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccnn1
(2)InChI: InChI=1/C4H3N3/c5-3-4-1-2-6-7-4/h1-2H,(H,6,7)
(3)InChIKey: YMJLEPMVGQBLHL-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C4H3N3/c5-3-4-1-2-6-7-4/h1-2H,(H,6,7)
(5)Std. InChIKey: YMJLEPMVGQBLHL-UHFFFAOYSA-N