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| CAS No.: | 15791-87-4 |
|---|---|
| Name: | 4,6-Diaminoresorcinol |
| Article Data: | 15 |
| Molecular Structure: | |
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| Formula: | C6H8N2O2 |
| Molecular Weight: | 140.142 |
| Synonyms: | Resorcinol,4,6-diamino- (7CI,8CI);1,3-Diamino-4,6-dihydroxybenzene;1,3-Dihydroxy-4,6-diaminobenzene;2,4-Diaminobenzene-1,5-diol;4,6-Diamino-1,3-benzenediol;4,6-Diaminoresorcin;4,6-Diaminoresorcinol; |
| Density: | 1.542g/cm3 |
| Boiling Point: | 430.1 °C at 760 mmHg |
| Flash Point: | 213.9 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 92.50000 |
| LogP: | 1.42460 |
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1,3-dihydroxy-2-chloro-4,6-dinitrobenzene
- 4,6-diamino-1,3-benzenediol
- 15791-87-4
4,6-diamino-1,3-benzenediol
| Conditions | Yield |
|---|---|
| With 15% palladium on carbon; ammonium acetate; hydrogen In isopropyl alcohol at 60℃; under 15001.5 Torr; for 0.0466667h; Catalytic behavior; Reagent/catalyst; Solvent; Temperature; Autoclave; | 88% |
| With trifluoroacetic acid; palladium In water |
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Specification
The 4,6-Diaminoresorcinol, with cas registry number 15791-87-4, has the systematic name of 4,6-diaminobenzene-1,3-diol. Besides this, it is also called 1,3-benzenediol, 4,6-diamino-. And the chemical formula of this chemical is C6H8N2O2.
Physical properties about this chemical are: (1)# of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1.33; (6)#H bond acceptors: 4; (7)#H bond donors: 6; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 24.94 Å2; (10)Index of Refraction: 1.79; (11)Molar Refractivity: 38.48 cm3; (12)Molar Volume: 90.8 cm3; (13)Polarizability: 15.25×10-24cm3; (14)Surface Tension: 102.3 dyne/cm; (15)Enthalpy of Vaporization: 71.2 kJ/mol; (16)Vapour Pressure: 5.29E-08 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 4,6-Diaminoresorcinol irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cc(O)c(N)cc1N
(2)InChI: InChI=1/C6H8N2O2/c7-3-1-4(8)6(10)2-5(3)9/h1-2,9-10H,7-8H2
(3)InChIKey: DPYROBMRMXHROQ-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C6H8N2O2/c7-3-1-4(8)6(10)2-5(3)9/h1-2,9-10H,7-8H2
(5)Std. InChIKey: DPYROBMRMXHROQ-UHFFFAOYSA-N