Chemical Name | 1,3-Dithiane |
MDL Number | MFCD00006654 |
PubChem Substance ID | 10451 |
Beilstein Registry Number | 102534 |
CAS Number | 505-23-7 |
EC Number | 208-006-7 |
Synonym |
1,3-Dithiane
{LY} 1,3-Dithiane
{} {LY} 1,3-Dithiane
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{} {} {} {LY} 1,3-Dithiane
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Chemical Name Translation | 1,3-二噻烷 |
Reaxys-RN | 102534 |
LabNetwork Molecule ID | LN00007305 |
InChI | InChI=1S/C4H8S2/c1-2-5-4-6-3-1/h1-4H2 |
Canonical SMILES | S1CSCCC1 |
RTECS | JO5070000 |
WGK Germany | 3 |
Personal Protective Equipment |
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter |
Signal word |
Warning |
GHS Symbol
Safety Statements | |
|
Risk Statements | |
- R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
|
Precautionary statements | |
|
Packing Group | III |
UN Number |
UN 1325 4.1/PG 2
UN3335 |
Hazard Class | 4.1 |
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Intraperitoneal
SPECIES OBSERVED : Rodent - mouse
DOSE/DURATION : 1500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique.
(Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France)
V.9- 1974- Volume(issue)/page/year: 19,461,1984
TYPE OF TEST : Sister chromatid exchange
TEST SYSTEM : Rodent - hamster Ovary
DOSE/DURATION : 80 umol/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE
Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 321,213,1994
TYPE OF TEST : Mutation in microorganisms
TEST SYSTEM : Bacteria - Salmonella typhimurium
DOSE/DURATION : 800 nmol/plate
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE
Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 321,213,1994
Storage condition |
2-8°C, stored under nitrogen
{LY} 2-8°C, stored under nitrogen
{} {LY} 2-8°C, stored under nitrogen
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{} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen
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{} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen
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1,3-Dithiane was used as reagent for deoxygenation of sulfoxides to their corresponding sulfides
{MCE} [2]. Martinez RA, et al. Synthesis of isotopically labeled 1,3-dithiane. J Labelled Comp Radiopharm. 2014 May 15;57(5):338-41.
{SA} Aldrich MSDS 1 , 838:A / Corp MSDS 1 (1), 1479:B / FT-IR 2 (1), 435:D / FT-IR 1 (1), 271:C / FT-NMR 1 (1), 435:A / IR-Spectra (2), 143:C / IR-Spectra (3), 160:A / NMR-Reference 2 (1), 233:B / RegBook 1 (1), 289:D / Structure Index 1 , 40:B:3 / Vapor Phase 3 , 356:D
{SA} Beil. 19 ,V,1,13
{SA} Fieser 2 ,182 / Fieser 3 ,135 / Fieser 4 ,216 / Fieser 5 ,287 / Fieser 6 ,248 / Fieser 7 ,142 / Fieser 14 ,157
{uni_hamburg} Short: II/19b
Title: Molecular Constants: Rotational, Centrifugal Distortion and Related Constants of Diamagnetic Asymmetric Top Molecules
Author: Demaison, J.; Hüttner, W.; Vogt, J.; Wlodarczak, G.
Editor: Hüttner, W.
Source: Landolt-Börnstein, New Series
Volume: II/19b
Year: 1992
Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy
ISBN: 3-540