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4,6-Diaminoresorcinol dihydrochloride

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Name

4,6-Diaminoresorcinol dihydrochloride

EINECS N/A
CAS No. 16523-31-2 Density 1.542g/cm3
PSA 92.50000 LogP 3.02860
Solubility almost transparency Melting Point 254 °C (dec.)(lit.)
Formula C6H8N2O2·2ClH Boiling Point 430.1 °C at 760 mmHg
Molecular Weight 213.064 Flash Point 213.9 °C
Transport Information N/A Appearance grey-brown crystalline solid
Safety 37/39-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 16523-31-2 (4,6-Diaminoresorcinol dihydrochloride) Hazard Symbols IrritantXi
Synonyms

1,3-Benzenediol,4,6-diamino-, dihydrochloride (9CI);Resorcinol, 4,6-diamino-, dihydrochloride(8CI);1,3-Diamino-4,6-dihydroxybenzene dihydrochloride;4,6-Diamino-1,3-benzenediol dihydrochloride;4,6-Diaminoresorcinol dihydrochloride;6-Dihydroxy-m-phenylenediamine dihydrochloride;

Article Data 13

4,6-Diaminoresorcinol dihydrochloride Specification

The 4,6-Diaminoresorcinol dihydrochloride, with the CAS registry number 16523-31-2, is also known as 6-Dihydroxy-m-phenylenediamine dihydrochloride. It belongs to the product categories of Aromatic Phenols; Benzene derivates; API intermediates; Fluorenes, etc. (reagent for high-performance polymer research); Functional Materials; Reagent for High-Performance Polymer Research; Organic Building Blocks; Oxygen Compounds; Polyols. This chemical's molecular formula is C6H8N2O2·2ClH and molecular weight is 213.06. What's more, its systematic name is 4,6-Diamino-1,3-benzenediol dihydrochloride. Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

Physical properties of 4,6-Diaminoresorcinol dihydrochloride are: (1)ACD/LogP: -2.254; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.71; (4)ACD/LogD (pH 7.4): -2.28; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.33; (9)#H bond acceptors: 4; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 24.94 Å2; (13)Flash Point: 213.9 °C; (14)Enthalpy of Vaporization: 71.2 kJ/mol; (15)Boiling Point: 430.1 °C at 760 mmHg; (16)Vapour Pressure: 5.29E-08 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.Oc1cc(O)c(N)cc1N
(2)Std. InChI: InChI=1S/C6H8N2O2.2ClH/c7-3-1-4(8)6(10)2-5(3)9;;/h1-2,9-10H,7-8H2;2*1H
(3)Std. InChIKey: KUMOYHHELWKOCB-UHFFFAOYSA-N 

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