2,6-Naphthalenedithiol supplier

Name
2,6-Naphthalenedithiol
EINECS
CAS No. 96892-95-4
Article Data6
CAS DataBase
Density 1.292 g/cm³
Solubility
Melting Point
Formula C₁₀H₈S₂
Boiling Point 353.7 ºC at 760 mmHg
Molecular Weight 192.306
Flash Point 178.6 ºC
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2,6-Dithionaphthalene;Naphthalene-2,6-dithiol;
PSA 77.60000
LogP 3.41720

Synthetic route

: 13827-62-8
2,6-naphthalenedisulfonyl dichloride

: 96892-95-4
2,6-naphthalene-dithiol

Conditions

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

naphthalene-disulfonyl chloride-(2.6): naphthalene-disulfonyl chloride-(2.6)

: 96892-95-4
2,6-naphthalene-dithiol

Conditions

Conditions	Yield
With acetic acid; zinc

: 581-75-9
naphthalene-2,6-disulfonic acid

: 96892-95-4
2,6-naphthalene-dithiol

Conditions

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

Conditions	Yield
Multi-step reaction with 2 steps 1: phosphorus pentachloride 2: hydrogenchloride; tin(II) chloride hydrate / water; acetic acid View Scheme

: 96892-95-4
2,6-naphthalene-dithiol

: 75-36-5
acetyl chloride

: 1314140-60-7
2,6-di(acetylthio)naphthalene

Conditions

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

Conditions	Yield
With sodium hydroxide at 70℃; for 2h;	67%
With alkali

: 96892-95-4
2,6-naphthalene-dithiol

: 29390-66-7
6-deoxy-6-iodo-β-cyclodextrin

: C94H144O68S2

Conditions

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

: 2,6-bis-(2,2-dimethoxy-ethylsulfanyl)-naphthalene

Conditions

Conditions	Yield
With ethanol; sodium ethanolate; sodium iodide

: 96892-95-4
2,6-naphthalene-dithiol

: 77-78-1
dimethyl sulfate

: 10075-77-1
2,6-bis(methylthio)naphthalene

Conditions

Conditions	Yield
With sodium hydroxide

: 96892-95-4
2,6-naphthalene-dithiol

iodo-β-cyclodextrin: iodo-β-cyclodextrin

2,6-bis(β-cyclodextrin-6-ylthio)naphthalene: 2,6-bis(β-cyclodextrin-6-ylthio)naphthalene

Conditions

Conditions	Yield
With sodium hydrogencarbonate In N,N-dimethyl-formamide Substitution;

: 96892-95-4
2,6-naphthalene-dithiol

: 96892-98-7
(2,6-naphthylenedisulfonyl)diacetic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 67 percent / 6percent aq. NaOH / 2 h / 70 °C 2: 84 percent / H2O2 / H2O / 3 h / 90 °C View Scheme

: 96892-95-4
2,6-naphthalene-dithiol

: (1,5-dinitro-2,6-naphthylenedithio)diacetic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 67 percent / 6percent aq. NaOH / 2 h / 70 °C 2: 0.2 g / 40percent aq. HNO3 / acetic acid / 2 h / 6 - 15 °C View Scheme

: 96892-95-4
2,6-naphthalene-dithiol

: 217-13-0
naphtho[1,2-b:5,6-b′]dithiophene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium ethylate; NaI; ethanol 2: phosphoric acid; phosphorus (V)-oxide / 150 °C View Scheme

2,6-Naphthalenedithiol 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%.

2,6-Naphthalenedithiol can be prepared by naphthalene-2,6-disulfonyl chloride at the temperature of 90 °C

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%.

2,6-Naphthalenedithiol can be used to produce naphthalene-2,6-diyldimercapto-di-acetic acid at the temperature of 70 °C

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

Product Name

2,6-Naphthalenedithiol

Synthetic route

2,6-Naphthalenedithiol Specification

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