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2,5-Diamino-1,4-benzenedithiol dihydrochloride

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Name

2,5-Diamino-1,4-benzenedithiol dihydrochloride

EINECS N/A
CAS No. 75464-52-7 Density N/A
PSA 129.64000 LogP 4.19480
Solubility N/A Melting Point 210°C(dec.)(lit.)
Formula C6H8N2S2.2(HCl) Boiling Point 420.1 °C at 760 mmHg
Molecular Weight 245.197 Flash Point 207.9 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 75464-52-7 (2,5-DIAMINO-1,4-BENZENEDITHIOL DIHYDROCHLORIDE) Hazard Symbols N/A
Synonyms

1,4-Benzenedithiol,2,5-diamino-, dihydrochloride (9CI);2,5-Diamino-1,4-benzenedithiol dihydrochloride;

Article Data 2

2,5-Diamino-1,4-benzenedithiol dihydrochloride Specification

The 2,5-Diamino-1,4-benzenedithiol dihydrochloride with the CAS number 75464-52-7 is also called 1,4-Benzenedithiol,2,5-diamino-, hydrochloride (1:2). The systematic name is 2,5-diaminobenzene-1,4-dithiol dihydrochloride. Its molecular formula is C6H8N2S2.2(HCl). This chemical belongs to the following product categories: (1)Fluorenes, etc. (reagent for high-performance polymer research); (2)Functional Materials; (3)Reagent for High-Performance Polymer Research.

The properties of the 2,5-Diamino-1,4-benzenedithiol dihydrochloride are: (1)ACD/LogP: 0.36; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 7; (6)ACD/KOC (pH 7.4): 7; (7)#H bond acceptors: 2; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 129.64 Å2; (11)Enthalpy of Vaporization: 68.7 kJ/mol; (12)Vapour Pressure: 1.85×10-7 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is harmful by inhalation, in contact with skin and if swallowed. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.Sc1cc(N)c(S)cc1N
(2)InChI: InChI=1/C6H8N2S2.2ClH/c7-3-1-5(9)4(8)2-6(3)10;;/h1-2,9-10H,7-8H2;2*1H
(3)InChIKey: HVXLKRWRWNFGBA-UHFFFAOYAY

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