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Cas Database |
| Name |
Diaminomaleonitrile |
EINECS | 214-697-6 |
| CAS No. | 1187-42-4 | Density | 1.319 g/cm3 |
| PSA | 99.62000 | LogP | 0.56316 |
| Solubility | 5 g/L (25 °C) in water | Melting Point |
178-179 °C |
| Formula | C4H4N4 | Boiling Point | 444.7 °C at 760 mmHg |
| Molecular Weight | 108.103 | Flash Point | 222.7 °C |
| Transport Information | UN 3439 6.1/PG 3 | Appearance | brown crystalline powder |
| Safety | 36-24/25 | Risk Codes | 20/21/22-25 |
| Molecular Structure |
|
Hazard Symbols |
 Xn, T
|
| Synonyms |
2-Butenedinitrile,2,3-diamino-, (Z)-;Maleonitrile, diamino- (6CI,7CI,8CI);(2Z)-2,3-Diamino-2-butenedinitrile;2,3-Diaminomaleonitrile;DAMN;2-Butenedinitrile,2,3-diamino-, (2Z)-;Hydrogen cyanide tetramer; |
Article Data | 30 |
Diaminomaleonitrile Synthetic route
| Conditions | Yield |
|---|---|
| With sodium cyanide; methylthiol at 60℃; for 2h; Temperature; Time; Reagent/catalyst; Autoclave; | 88% |
- 129694-52-6
ethyl (Z)-N-(2-amino-1,2-dicyanovinyl)formamidate
- 619-45-4
4-methoxycarbonyl aniline
A
- 931424-12-3
methyl 4-{[(Z)-2-amino-1,2-dicyanovinyl]amino}methyleneaminobenzoate
B
- 1187-42-4
diaminomaleonitrile
| Conditions | Yield |
|---|---|
| aniline hydrochloride In methanol at 23℃; for 20h; | A 68% B 32% |
- 74-90-8
hydrogen cyanide
- 1726-32-5, 34892-76-7, 34892-77-8
(E/Z)-α-iminoacetonitrile
A
- 1187-42-4, 18514-52-8, 20344-79-0
1,1-diamino-2,2-ethenedicarbonitrile
B
- 1187-42-4
diaminomaleonitrile
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane; acetonitrile 1.) -78 up to -20 deg C within 1 h; 2.) -20 deg C, 16 h; | A 2.5% B 34.5% |
| Conditions | Yield |
|---|---|
| With N(C2H5)3 with dry HCN; extraction with ether; recrystn. from propanol; | 6.1% |
| With N(C2H5)3 with dry HCN; extraction with ether; recrystn. from propanol; | 6.1% |
| With ammonia |
| Conditions | Yield |
|---|---|
| (i) Et3N, CH2Cl2, (ii) H2, Pd-C, THF; Multistep reaction; |
- 1187-42-4
diaminomaleonitrile
| Conditions | Yield |
|---|---|
| in Anwesenheit von Katalysatoren; |
- 108-24-7
acetic anhydride
- 1187-42-4
diaminomaleonitrile
- 65604-69-5
N-((Z)-2-amino-1,2-dicyanoethenyl)acetamide
| Conditions | Yield |
|---|---|
| 100% | |
| 99% | |
| for 0.166667h; Heating; | 99% |
- 14063-82-2
4-chloro-2H-chromene-3-carboxaldehyde
- 1187-42-4
diaminomaleonitrile
| Conditions | Yield |
|---|---|
| In methanol for 0.0833333h; | 98.2% |
- 100-52-7
benzaldehyde
- 1187-42-4
diaminomaleonitrile
- 56029-18-6
2-(benzen-1-yl)methyleneamino-3-aminomaleonitrile
| Conditions | Yield |
|---|---|
| With sulfuric acid In dimethyl sulfoxide at 20℃; for 2h; | 98% |
| In methanol at 80℃; for 5h; Reflux; | 84% |
| With sulfuric acid In dimethyl sulfoxide |
Diaminomaleonitrile Specification
Diaminomaleonitrile(CAS NO.1187-42-4) is also named as 2,3-Diaminomaleonitrile; CCRIS 921; Hydrogen cyanide tetramer; NSC 266758; 2-Butenedinitrile, 2,3-diamino-, (2Z)-; 2-Butenedinitrile, 2,3-diamino-, (Z)- (9CI). Diaminomaleonitrile is brown crystalline powder. It is sensitive to prolonged exposure to air. Flash point data are not available for Diaminomaleonitrile, but it is probably combustible. It is widely used in the field of synthetic medicine, microorganism culture, condiment, pesticide, dyes, pigments and so on. It is a kind of organic intermediates using extensively.
Physical properties about Diaminomaleonitrile are: (1)ACD/LogP: -2.674; (2)ACD/LogD (pH 5.5): -2.67; (3)ACD/LogD (pH 7.4): -2.67; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 1.00; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.579; (12)Molar Refractivity: 27.221 cm3; (13)Molar Volume: 81.901 cm3; (14)Polarizability: 10.791 10-24cm3; (15)Surface Tension: 80.7740020751953 dyne/cm; (16)Density: 1.32 g/cm3; (17)Flash Point: 222.727 °C; (18)Enthalpy of Vaporization: 70.252 kJ/mol; (19)Boiling Point: 444.667 °C at 760 mmHg
You can still convert the following datas into molecular structure:
(1)InChI=1S/C4H4N4/c5-1-3(7)4(8)2-6/h7-8H2/b4-3-;
(2)InChIKey=DPZSNGJNFHWQDC-ARJAWSKDSA-N;
(3)SmilesC(=C(/C#N)N)(\C#N)N
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