- 10,10'-Bis([1,1'-biphenyl]-4-yl)-9,9'-bianthracene
- 10,10'-Dibromo-9,9'-bianthryl
- 10,10-Dimethylanthrone
- 10,10-Oxybisphenoxarsine
- 10-[1,1'-Biphenyl]-4-yl-2-(1-methylethyl)-9-oxo-9H-thioxanthenium hexafluorophosphate
- 10,11-Dehydroimipramine
- 10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine
- 10,11-Dihydro-2-(4-methyl-1-piperazinyl)-11-(2-athiazolyl)-pyridazino(3,4-b)(1,4)benzoxazepine
- 10,11-DIHYDRO-2-(4-METHYL-1-PIPERAZINYL)-11-(3,4-XYLYL)PYRIDAZINO(3,4b)(1,4)-BENZOXAZEPINE MALEATE
- 10,11-Dihydro-5-(3-dimethylamino-2-methylpropyl)-5h-dibenz (b,f)azepine
- 50529-33-4Benzene,2-chloro-1-fluoro-4-isocyanato-
- 50530-12-6Decanoic acid,10-bromo-
- 50530-43-31,3,4-Thiadiazole-2(3H)-thione,5-(dodecyldithio)-
- 5053-08-71-Oxa-3,8-diazaspiro[4.5]decan-2-one,8-(2-phenylethyl)-, hydrochloride (1:1)
- 5053-24-7Thiazole,2-(methylthio)-
- 505-32-81-Hexadecen-3-ol,3,7,11,15-tetramethyl-
- 50-53-310H-Phenothiazine-10-propanamine,2-chloro-N,N-dimethyl-
- 50533-97-64-Piperidinamine,N,N-dimethyl-
- 5053-43-0Pyrimidine, 2-methyl-
- 50534-45-74-Piperidinamine,1-ethyl-
Hot Products
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
- 7631-86-9Silicon dioxide
- 302-79-4Tretinoin
- 77-92-9Citric acid
|
Basic Information |
|
Post buying leads |
|
Suppliers |
|
Cas Database |
| Name |
1,4-Dithiane |
EINECS | 208-007-2 |
| CAS No. | 505-29-3 | Density | 1.14 g/cm3 |
| PSA | 50.60000 | LogP | 1.46640 |
| Solubility | slightly soluble in water, soluble in hot ethanol and oil | Melting Point |
107-113 °C |
| Formula | C4H8S2 | Boiling Point | 200.5 °C at 760 mmHg |
| Molecular Weight | 120.24 | Flash Point | 82.1 °C |
| Transport Information | N/A | Appearance | white solid with an extremely unpleasant smell |
| Safety | 26-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
p-Dithiane(7CI,8CI);1,4-Dithiacyclohexane;1,4-Dithiin, tetrahydro-;NSC 24178;p-Dithiane;Diethylene disulfide;p-Dithiin, tetrahydro-;CCRIS 3240;HSDB 7426; |
Article Data | 73 |
1,4-Dithiane Synthetic route
| Conditions | Yield |
|---|---|
| With 1-pentyl-3-methylimidazolium bromide at 60℃; for 5.5h; | 92% |
| With sodium ethanolate In ethanol for 2.5h; Cyclization; Heating; | 64% |
| Conditions | Yield |
|---|---|
| With 25percent soude; tetrabutylammomium bromide In benzene at 80℃; for 4h; Product distribution; other concentration of catalyst and soude, time; | 87.5% |
| With 1-pentyl-3-methylimidazolium bromide at 60℃; for 0.133333h; Irradiation; microwave; | 81% |
| With 1,8-diazabicyclo[5.4.0]undec-7-ene at 150℃; for 0.333333h; microwave irradiation; | 81% |
- 25423-55-6
3,6-dithiaoctan-1,8-dithiol
- 3563-36-8
1,2-bis(2-chloroethylthio)ethane
A
- 505-29-3
1,4-Dithiane
B
- 296-41-3
1,4,7,10,13,16-hexathiacyclooctadecan
C
- 25423-56-7
1,4,7,10-tetrathiacyclododecane
| Conditions | Yield |
|---|---|
| With caesium carbonate In N,N-dimethyl-formamide at 50℃; | A n/a B 70% C 5% |
- 16892-64-1
2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-trithiatristanninane
- 106-93-4
ethylene dibromide
A
- 505-29-3
1,4-Dithiane
C
- 2767-47-7
dimethyltin dibromide
| Conditions | Yield |
|---|---|
| In further solvent(s) soln. of (Me2SnS)3 in BrCH2CH2Br was heated at 140°C for 35 h; excess C2H4Br2 was removed in vac. at room temp., products were sepd. by sublimation at 70°C; dithiane was identified by chromy., elem. anal. for 2Me2SnBr2*S(CH2CH2)2S; | A n/a B 58% C 18% |
- 113322-95-5
{(C5H5)Ru(P(C6H5)3)2(SC2H4)}(1+)*CF3SO3(1-)*0.5CH2Cl2={(C5H5)Ru(P(C6H5)3)2(SC2H4)}(OSO2CF3)*0.5CH2Cl2
- 2001-45-8
tetraphenyl phosphonium chloride
A
- 505-29-3
1,4-Dithiane
B
- 32993-05-8
chloro(cyclopentadienyl)bis(triphenylphosphine)ruthenium (II)
| Conditions | Yield |
|---|---|
| In dichloromethane-d2 byproducts: (C2H4S)n; PPh4Cl added to CD2Cl2-soln. of Ru-thiiran complex at 0°C; decompn. by warming to room temp.; | A n/a B 50% |
- 50-00-0
formaldehyd
- 540-63-6
ethane-1,2-dithiol
A
- 4829-04-3
1,3-dithiolane
B
- 505-29-3
1,4-Dithiane
C
- 1449678-80-1
3-methylideneamino-1,5,3-dithiazepane
D
- 154729-78-9
1,3,6,8-tetrathiecane
| Conditions | Yield |
|---|---|
| With hydrogenchloride; hydrazine hydrate In water at 20℃; pH=0.45 - 0.5; | A 30% B 9% C 49% D 12% |
- 2040-67-7, 89124-15-2
trans-2,3-dichloro-1,4-dithiane
A
- 505-29-3
1,4-Dithiane
B
- 6784-47-0
2,2'-bi-1,3-dithiolanyl
C
- 23230-01-5
2,3-dihydro-1,4-dithiin
D
- 106691-43-4
2,3-dihydro-5,6-dichloro-1,4-dithiin
| Conditions | Yield |
|---|---|
| With disodium 1,2-ethanedithiolate In ethanol for 12h; | A 2% B n/a C 15% D 6% |
| Conditions | Yield |
|---|---|
| With aluminum oxide; sulfide ion In toluene at 140℃; for 20h; | A 1.5% B 1.8% |
| Conditions | Yield |
|---|---|
| With aluminum oxide; hydrogen sulfide at 220℃; |
| Conditions | Yield |
|---|---|
| With potassium pyrosulfate at 160 - 210℃; | |
| With aluminium silicate at 240℃; | |
| With cation exchanger at 180℃; | |
| With toluene-4-sulfonic acid; acetaldehyde; benzene Unter Entfernen des entstehenden Wassers und Erhitzen des Reaktionsprodukts auf 200grad; | |
| at 180℃; in Gegenwart eines sauren Kationen-Austauschers; |
1,4-Dithiane Consensus Reports
Reported in EPA TSCA Inventory.
1,4-Dithiane Specification
The 1,4-Dithiane with CAS registry number of 505-29-3 is also known as p-Dithiane(7CI,8CI). The IUPAC name and product name are the same. It belongs to product categories of Alphabetical Listings; C-D; Flavors and Fragrances; Heterocyclic Building Blocks; S-Containing. Its EINECS registry number is 208-007-2. In addition, the formula is C4H8S2 and the molecular weight is 120.24. This chemical is a white solid with an extremely unpleasant smell.
Physical properties about 1,4-Dithiane are: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.12; (4)ACD/LogD (pH 7.4): 1.12; (5)ACD/BCF (pH 5.5): 4.2; (6)ACD/BCF (pH 7.4): 4.2; (7)ACD/KOC (pH 5.5): 97.25; (8)ACD/KOC (pH 7.4): 97.25; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 50.6Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 34.77 cm3; (15)Molar Volume: 105.4 cm3; (16)Polarizability: 13.78×10-24cm3; (17)Surface Tension: 43.8 dyne/cm; (18)Density: 1.14 g/cm3; (19)Flash Point: 82.1 °C; (20)Enthalpy of Vaporization: 41.88 kJ/mol; (21)Boiling Point: 200.5 °C at 760 mmHg; (22)Vapour Pressure: 0.459 mmHg at 25 °C
Preparation of 1,4-Dithiane: it is prepared by reaction of ethane-1,2-dithiol with 1,2-dibromo-ethane. The cyclization reaction needs reagent sodium ethoxide and solvent ethanol with other condition of heating for 2.5 hours. The yield is about 64%.
Uses of 1,4-Dithiane: it is used to produce [1,4]dithiane-1-oxide. The reaction occurs with reagent m-chloroperbenzoic acid. The yield is about 36%.
![1,4-Dithiane is used to produce [1,4]dithiane-1-oxide.](/UserFilesUpload/Uses of 1,4-Dithiane.png)
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing. In case of 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: S1CCSCC1
2. InChI: InChI=1/C4H8S2/c1-2-6-4-3-5-1/h1-4H2
3. InChIKey: LOZWAPSEEHRYPG-UHFFFAOYAR
4. Std. InChI: InChI=1S/C4H8S2/c1-2-6-4-3-5-1/h1-4H2
5. Std. InChIKey: LOZWAPSEEHRYPG-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | 2768mg/kg (2768mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | National Technical Information Service. Vol. AD-A172-647, |
What can I do for you?
Get Best Price
