Disulfide, bis(2,4-dimethylphenyl)

HCID 83618CAS 13616-83-6

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Basic information

Standard SMILES: Cc1ccc(SSc2ccc(C)cc2C)c(C)c1
InChIKey: RPYHJOQRKNEXCU-UHFFFAOYSA-N
Molecular formula: C16H18S2
Average molar mass: 274.454 g/mol
Monoisotopic mass: 274.08499258

Names & identifiers

Preferred name: Disulfide, bis(2,4-dimethylphenyl)
IUPAC: 1,1'-Disulfanediylbis(2,4-dimethylbenzene)
English name: di(2,4-xylyl) disulphide
Molecular formula: C16H18S2
Molecular weight: 274.44

Names & synonyms

Einecs 237-101-62,4-Xylyl disulfideVortioxetine impurity HVortioxetine Impurity 18di(2,4-xylyl) disulphideBis(2,4-xylyl) persulfideBis(2,4-dimethylphenyl) DisulfideDisulfide, bis(2,4-dimethylphenyl)2,2',4,4'-Tetramethyl diphenyl disulfide1-[(2,4-dimethylphenyl)disulfanyl]-2,4-dimethylbenzene

Database identifiers

CAS: 13616-83-6、27080-90-6
PubChem CID: 83618
DTXSID: DTXSID0065561
UNII: 534Y509F25
EC Number: 237-101-6、248-212-4
Nikkaji: J141.597B

Properties

Physicochemical properties

Melting point: 265 °C · 265 °C
Boiling point: 170 · 170-172 °C(Press: 3.5 Torr)
Density: 1.13 · 1.13±0.1 g/cm3(Predicted)
storage temp.: -20 °C, · -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
FDA UNII: 534 Y509F25 · 534Y509F25
EPA Substance Registry System: Disulfide, bis(2,4-dimethylphenyl) (13616-83-6)
Symbol(GHS): 7 · GHS07,GHS09,GHS08
Signal word: Danger
Hazard statements: 315 · H315-H319-H373-H410
Precautionary statements: 501 · P501-P273-P260-P264-P280-P302+P352-P391-P314-P337+P313-P305+P351+P338-P362+P364-P332+P313
TSCA: TSCA listed

Safety & regulation

Safety data

tsca: TSCA listed
Signal word: Danger
Symbol(GHS): GHS07,GHS09,GHS08
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

Chemistry & industry

Applications · 1 item

UsesBis(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.

Suppliers50 total

天津始加生物医药科技有限公司15022261580 · [email protected]

济南百隆化学有限公司[email protected] · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

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