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| CAS No.: | 96892-95-4 |
|---|---|
| Name: | 2,6-Naphthalenedithiol |
| Molecular Structure: | |
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|
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| Formula: | C10H8S2 |
| Molecular Weight: | 192.306 |
| Synonyms: | 2,6-Dithionaphthalene;Naphthalene-2,6-dithiol; |
| Density: | 1.292 g/cm3 |
| Boiling Point: | 353.7 ºC at 760 mmHg |
| Flash Point: | 178.6 ºC |
| Hazard Symbols: |
 Xi
|
| PSA: | 77.60000 |
| LogP: | 3.41720 |
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- 13827-62-8
2,6-naphthalenedisulfonyl dichloride
- 96892-95-4
2,6-naphthalene-dithiol
| Conditions | Yield |
|---|---|
| With hydrogenchloride; tin(ll) chloride In acetic acid at 90℃; for 2h; | 69% |
| With tin(ll) chloride In acetic acid at 90℃; for 2h; | 39% |
| With hydrogenchloride; tin(II) chloride hydrate In water; acetic acid | 23.3% |
| With hydrogenchloride; acetic acid; tin(ll) chloride |
- 96892-95-4
2,6-naphthalene-dithiol
| Conditions | Yield |
|---|---|
| With acetic acid; zinc |
- 581-75-9
naphthalene-2,6-disulfonic acid
- 96892-95-4
2,6-naphthalene-dithiol
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 71 percent / PCl5 / 4 h / 130 °C 2: 69 percent / SnCl2, HCl(g) / acetic acid / 2 h / 90 °C View Scheme | |
| Multi-step reaction with 2 steps 1: 3.2 g / PCl5 / 4 h / 130 °C 2: 39 percent / SnCl2 / acetic acid / 2 h / 90 °C View Scheme |
- 1655-45-4
disodium 2,6-naphthalenedisulfonate
- 96892-95-4
2,6-naphthalene-dithiol
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: phosphorus pentachloride 2: hydrogenchloride; tin(II) chloride hydrate / water; acetic acid View Scheme |
| Conditions | Yield |
|---|---|
| With triethylamine In tetrahydrofuran | 71% |
- 96892-95-4
2,6-naphthalene-dithiol
- 79-11-8
chloroacetic acid
- 96892-96-5
(2,6-naphthylenedithio)diacetic acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide at 70℃; for 2h; | 67% |
| With alkali |
| Conditions | Yield |
|---|---|
| With ammonium bicarbonate In N,N-dimethyl-formamide at 85℃; for 22h; | 3.5% |
- 7252-83-7
1-bromo-2,2-dimethoxyethane
- 96892-95-4
2,6-naphthalene-dithiol
| Conditions | Yield |
|---|---|
| With ethanol; sodium ethanolate; sodium iodide |
| Conditions | Yield |
|---|---|
| With sodium hydroxide |
- 96892-95-4
2,6-naphthalene-dithiol
| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate In N,N-dimethyl-formamide Substitution; |
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Specification
The 2,6-Naphthalenedithiol, with the CAS registry number 96892-95-4, is also known as 2,6-Dithionaphthalene. This chemical's molecular formula is C10H8S2 and molecular weight is 192.3. What's more, its systematic name is naphthalene-2,6-dithiol.
Physical properties of 2,6-Naphthalenedithiol are: (1)ACD/LogP: 3.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 572; (6)ACD/BCF (pH 7.4): 31; (7)ACD/KOC (pH 5.5): 3083; (8)ACD/KOC (pH 7.4): 169 ; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 77.6 Å2; (11)Index of Refraction: 1.747; (12)Molar Refractivity: 60.446 cm3; (13)Molar Volume: 148.77 cm3; (14)Polarizability: 23.963×10-24cm3; (15)Surface Tension: 56.628 dyne/cm; (16)Density: 1.293 g/cm3; (17)Flash Point: 178.573 °C; (18)Enthalpy of Vaporization: 57.508 kJ/mol; (19)Boiling Point: 353.74 °C at 760 mmHg.
Preparation of 2,6-Naphthalenedithiol: this chemical can be prepared by naphthalene-2,6-disulfonyl chloride at the temperature of 90 °C. This reaction will need reagents SnCl2, HCl(g) and solvent acetic acid with the reaction time of 2 hours. The yield is about 69%.
Uses of 2,6-Naphthalenedithiol: it can be used to produce naphthalene-2,6-diyldimercapto-di-acetic acid at the temperature of 70 °C. It will need reagent 6% aq. NaOH with the reaction time of 2 hours. The yield is about 67%.
You can still convert the following datas into molecular structure:
(1)SMILES: Sc1ccc2cc(S)ccc2c1
(2)InChI: InChI=1S/C10H8S2/c11-9-3-1-7-5-10(12)4-2-8(7)6-9/h1-6,11-12H
(3)InChIKey: XMHBJPKFTZSWRJ-UHFFFAOYSA-N