ChemicalBook--->CAS DataBase List--->13616-83-6

13616-83-6

13616-83-6 Structure

13616-83-6 Structure
IdentificationBack Directory
[Name]

di(2,4-xylyl) disulphide
[CAS]

13616-83-6
[Synonyms]

Einecs 237-101-6
2,4-Xylyl disulfide
Vortioxetine impurity H
Vortioxetine Impurity 18
di(2,4-xylyl) disulphide
Bis(2,4-xylyl) persulfide
Bis(2,4-dimethylphenyl) Disulfide
Disulfide, bis(2,4-dimethylphenyl)
1-[(2,4-dimethylphenyl)disulfanyl]-2,4-dimethylbenzene
Vortioxetine Impurity N: 1,2-bis (2,4-dimethylphenyl) disulfide
[EINECS(EC#)]

237-101-6
[Molecular Formula]

C16H18S2
[MOL File]

13616-83-6.mol
[Molecular Weight]

274.44
Chemical PropertiesBack Directory
[Melting point ]

265 °C
[Boiling point ]

170-172 °C(Press: 3.5 Torr)
[density ]

1.13±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C, Inert atmosphere
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly)
[form ]

Oil
[color ]

Light Yellow
[InChI]

InChI=1S/C16H18S2/c1-11-5-7-15(13(3)9-11)17-18-16-8-6-12(2)10-14(16)4/h5-10H,1-4H3
[InChIKey]

RPYHJOQRKNEXCU-UHFFFAOYSA-N
[SMILES]

S(C1=CC=C(C)C=C1C)SC1=CC=C(C)C=C1C
[EPA Substance Registry System]

Disulfide, bis(2,4-dimethylphenyl) (13616-83-6)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Environment (GHS09)Health Hazard (GHS08)
GHS07,GHS09,GHS08
[Signal word ]

Danger
[Hazard statements ]

H315-H319-H373-H410
[Precautionary statements ]

P501-P273-P260-P264-P280-P302+P352-P391-P314-P337+P313-P305+P351+P338-P362+P364-P332+P313
[TSCA ]

TSCA listed
Hazard InformationBack Directory
[Uses]

Bis(2,4-dimethylphenyl) Disulfide is an impurity of Vortioxetine Hydrobromide (V766000), a multimodal serotonergic agent that inhibits 5-HT1A, 5-HT1B, 5-HT3A, 5-HT7 receptor and SERT (1,2,3). Bis(2,4-dimethylphenyl) Disulfide used as a reactant in the preparation of vortioxetine salts using a new synthetic path.
Spectrum DetailBack Directory
[Spectrum Detail]

di(2,4-xylyl) disulphide(13616-83-6)1HNMR
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