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Cas Database |
| Name |
2,5-Diaminobenzonitrile |
EINECS | N/A |
| CAS No. | 14346-13-5 | Density | 1.245 g/cm3 |
| PSA | 75.83000 | LogP | 1.88508 |
| Solubility | N/A | Melting Point |
90-92 °C |
| Formula | C7H7N3 | Boiling Point | 370.759 °C at 760 mmHg |
| Molecular Weight | 133.153 | Flash Point | 178.029 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Cyano-1,4-diaminobenzene;2-Cyano-p-phenylenediamine; |
Article Data | 17 |
2,5-Diaminobenzonitrile Synthetic route
- 17420-30-3
5-nitroanthranilonitrile
- 14346-13-5
2-cyano-1,4-phenylenediamine
| Conditions | Yield |
|---|---|
| With 3 % platinum on carbon; ammonia; hydrogen In ethanol at 50℃; under 12001.2 Torr; Solvent; Reagent/catalyst; Temperature; Pressure; Autoclave; | 98% |
| With hydrazine hydrate In ethanol at 80℃; for 1h; Inert atmosphere; chemoselective reaction; | 89% |
| With palladium diacetate; hydrazine hydrate; potassium hydroxide In water at 50℃; for 8h; Inert atmosphere; Green chemistry; chemoselective reaction; | 82% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide In hydrogenchloride |
- 72115-08-3
5-amino-2-nitrobenzonitrile
- 14346-13-5
2-cyano-1,4-phenylenediamine
| Conditions | Yield |
|---|---|
| With 5%-palladium/activated carbon; hydrogen In methanol at 120℃; under 15001.5 Torr; Temperature; Solvent; |
- 14346-13-5
2-cyano-1,4-phenylenediamine
- 17420-30-3
5-nitroanthranilonitrile
| Conditions | Yield |
|---|---|
| With 1,9-diperoxynonanedioic acid In acetonitrile at 50℃; for 0.5h; | 90% |
- 14346-13-5
2-cyano-1,4-phenylenediamine
- 108-94-1
cyclohexanone
- 244219-97-4
7,9-diamino-1,2,3,4-tetrahydroacridine
| Conditions | Yield |
|---|---|
| With silica gel; toluene-4-sulfonic acid microwave irradiation; | 75% |
- 50-00-0
formaldehyd
- 14346-13-5
2-cyano-1,4-phenylenediamine
- 141400-26-2
2-amino-5-(dimethylamino)benzonitrile
| Conditions | Yield |
|---|---|
| Stage #1: formaldehyd; 2-cyano-1,4-phenylenediamine With acetic acid for 0.25h; Inert atmosphere; Stage #2: With sodium cyanoborohydride at 20℃; for 16h; Inert atmosphere; stereoselective reaction; | 49% |
- 14346-13-5
2-cyano-1,4-phenylenediamine
- 668428-98-6
4,6-diamino-3-(5-(4-methylpiperazin-1-yl)-1H-benzo[d]imidazol-2-yl)quinolin-2(1H)-one
| Conditions | Yield |
|---|---|
| With lithium hexamethyldisilazane In tetrahydrofuran at 20℃; for 5h; | 45% |
| Conditions | Yield |
|---|---|
| With pyridine In dichloromethane | 36% |
| Conditions | Yield |
|---|---|
| With pyridine In dichloromethane | 22% |
- 85-44-9
phthalic anhydride
- 14346-13-5
2-cyano-1,4-phenylenediamine
| Conditions | Yield |
|---|---|
| In various solvent(s) |
2,5-Diaminobenzonitrile Specification
The Benzonitrile,2,5-diamino- with the CAS number 14346-13-5 is also called 2-Cyano-1,4-diaminobenzene. Both the systematic name and IUPAC name are 2,5-diaminobenzonitrile. Its molecular formula is C7H7N3. The product category is Aromatic Nitriles. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the Benzonitrile,2,5-diamino- are: (1)ACD/LogP: 0.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 42; (8)ACD/KOC (pH 7.4): 43; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 75.83 Å2; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 38.555 cm3; (15)Molar Volume: 106.947 cm3; (16)Polarizability: 15.285×10-24cm3; (17)Surface Tension: 69.619 dyne/cm; (18)Enthalpy of Vaporization: 61.77 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cc(N)ccc1N
(2)InChI: InChI=1/C7H7N3/c8-4-5-3-6(9)1-2-7(5)10/h1-3H,9-10H2
(3)InChIKey: YVXLBNXZXSWLIK-UHFFFAOYAQ
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