Products Categories
| CAS No.: | 57090-88-7 |
|---|---|
| Name: | 1H-Imidazole-4-carbonitrile |
| Article Data: | 19 |
| Molecular Structure: | |
|
|
|
| Formula: | C4H3N3 |
| Molecular Weight: | 93.0879 |
| Synonyms: | 1H-Imidazole-4-carbonitrile(9CI);1H-Imidazol-4-nitrile;4-Cyano-1H-imidazole;4-Cyanoimidazole;4-Imidazolecarbonitrile;1H-Imidazole-5-carbonitrile; |
| EINECS: | 611-464-4 |
| Density: | 1.29 g/cm3 |
| Melting Point: | 143.5-144.5 °C |
| Boiling Point: | 388.128 °C at 760 mmHg |
| Flash Point: | 130.816 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 36 |
| Safety: | 26 |
| PSA: | 52.47000 |
| LogP: | 0.28138 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 33468-69-8
4-(trifluoromethyl)-1H-imidazole
- 57090-88-7
1H-imidazole-4-carbonitrile
| Conditions | Yield |
|---|---|
| With ammonium hydroxide at 60℃; for 8h; | 87% |
- 3034-50-2
4(5)formylimidazole
- 57090-88-7
1H-imidazole-4-carbonitrile
| Conditions | Yield |
|---|---|
| Stage #1: 4(5)formylimidazole With pyridine; hydroxylamine hydrochloride at 8 - 30℃; for 2h; Stage #2: With acetic anhydride at 80 - 110℃; for 3.83333h; | 82% |
| With pyridine; hydroxylamine hydrochloride; acetic anhydride at 0 - 110℃; for 5.83333h; | 82% |
| Stage #1: 4(5)formylimidazole With pyridine; hydroxylamine hydrochloride at 8 - 30℃; for 2h; Stage #2: With acetic anhydride at 80 - 110℃; for 0.5h; | 82% |
- 57090-90-1
1H-imidazole-4-carboxaldehyde oxime
- 57090-88-7
1H-imidazole-4-carbonitrile
| Conditions | Yield |
|---|---|
| With acetic anhydride at 20 - 100℃; for 1h; | 81% |
| With acetic anhydride at 78 - 110℃; | |
| Stage #1: 1H-imidazole-4-carboxaldehyde oxime With acetic anhydride at 80 - 110℃; for 3.83333h; Stage #2: With sodium hydroxide In water at 30℃; pH=8; Stage #3: With hydrogenchloride In water pH=2; Product distribution / selectivity; | |
| With pyridine; acetic anhydride at 120℃; for 1.5h; | |
| With acetic anhydride at 80 - 110℃; | 42.7 g |
- 56745-98-3
4-cyano-5-imidazolecarboxylic acid
- 57090-88-7
1H-imidazole-4-carbonitrile
| Conditions | Yield |
|---|---|
| In nitrobenzene for 20h; Heating; | 80% |
- 26832-08-6
imidazole-4-carboxamide
- 57090-88-7
1H-imidazole-4-carbonitrile
| Conditions | Yield |
|---|---|
| Stage #1: imidazole-4-carboxamide With trichlorophosphate In acetonitrile for 15h; Inert atmosphere; Reflux; Stage #2: With sodium hydroxide In water; acetonitrile pH=9 - 11; | 65.9% |
- 2302-25-2
4-bromo-1 H-imidazole
- 57090-88-7
1H-imidazole-4-carbonitrile
| Conditions | Yield |
|---|---|
| With t-BuBrettPhos; C44H62NO5PPdS(1-); potassium acetate In 1,4-dioxane; water at 100℃; for 1h; Inert atmosphere; Sealed tube; | 34 %Spectr. |
- 693-03-8
n-butyl magnesium bromide
- 57090-88-7
1H-imidazole-4-carbonitrile
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at 20℃; Grignard reaction; | 96% |
- 57090-88-7
1H-imidazole-4-carbonitrile
- 931-50-0
cyclohexylmagnesium bromide
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at 20℃; Grignard reaction; | 92% |
- 926-62-5
isobutylmagnesium bromide
- 57090-88-7
1H-imidazole-4-carbonitrile
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at 20℃; Grignard reaction; | 90% |
- 454-16-0
1-fluoro-2-methoxy-4-nitrobenzene
- 57090-88-7
1H-imidazole-4-carbonitrile
- 1263868-22-9
4-cyano-1-(2-methoxy-4-nitrophenyl)-1H-imidazole
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide at 120℃; | 89% |
- 5710-54-31,2-BENZENEDISULFONIC ACID, DIPOTASSIUM SALT
- 571187-03-66-METHYL-N'-(4-(PYRIDIN-3-YL)PYRIMIDIN-2-YL)BENZENE-1,3-DIAMINE
- 57126-62-2CHARANTIN(NEW)(P)
- 5714-22-7DISULPHUR DECAFLUORIDE
- 57142-64-01,2-Benzenediol, 4-ethenyl-, diacetate
- 571-44-84-Androsten-3b-ol-17-one
- 5714-73-8Methenamine hippurate
- 57150-46-6Pyridine, 1,2,3,6-tetrahydro-1-(1-oxobutyl)-
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
What can I do for you?
Get Best Price
Specification
The 1H-Imidazole-4-carbonitrile with cas registry number of 57090-88-7, is also named 1H-Imidazole-4-carbonitrile(9CI) ; 1H-Imidazol-4-nitrile .The 1H-Imidazole-4-carbonitrile belongs to the following product categories: (1)pharmacetical; (2)Imidazoles & Benzimidazoles .
Physical properties of 1H-Imidazole-4-carbonitrile :(1)ACD/LogP: -0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.72; (4)ACD/LogD (pH 7.4): -0.73; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.62; (8)ACD/KOC (pH 7.4): 9.58; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.61 Å2; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 23.04 cm3; (15)Molar Volume: 72.1 cm3; (16)Polarizability: 9.13×10-24cm3; (17)Surface Tension: 71.5 dyne/cm; (18)Enthalpy of Vaporization: 63.73 kJ/mol; (19)Vapour Pressure: 3.13E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure: (1)SMILES:N#Cc1cncn1; (2)InChI:InChI=1/C4H3N3/c5-1-4-2-6-3-7-4/h2-3H,(H,6,7)InChIKey:NWVGXXPWOYZODV-UHFFFAOYAT; (3)Std. InChI:InChI=1S/C4H3N3/c5-1-4-2-6-3-7-4/h2-3H,(H,6,7); (4)Std. InChIKey:NWVGXXPWOYZODV-UHFFFAOYSA-N.