2-(Bis(methylsulfanyl)methylidene)propanedinitrile (HCID 99229)

Namen und Bezeichner

Bevorzugter Name: 2-(Bis(methylsulfanyl)methylidene)propanedinitrile
IUPAC: 2-[bis(methylsulfanyl)methylidene]propanedinitrile
Englischer Name: 2-[Di(methylthio)methylidene]malononitrile
Summenformel: C6H6N2S2
Molmasse: 170.26

Namen und Synonyme

2-[bis(methylsulfanyl)methylidene]propanedinitrile2-(Bis(methylsulfanyl)methylidene)propanedinitrileRefChem:459879689-903-45147-80-82-[DI(METHYLTHIO)METHYLIDENE]MALONONITRILE2-(bis(methylthio)methylene)malononitrile[bis(methylthio)methylene]malononitrilepropanedinitrile, [bis(methylthio)methylene]-MFCD000527302-[bis(methylthio)methylene]malononitrile3,3-bis(methylthio)-2-cyanoacrylonitrile

Weitere Namen anzeigen

NSC 202533AKOS UB-20051[Bis(methylthio)m[Bis(Methylthio)Methylene]Malo1,1-Dicyano-2,2-bis(methylthio)ethene1,1-Dicyano-2,2-bis(methylthio)ethylene3,3-Di(methylthio)-2-cyanoacrylonitrile

(Bis(methylthio)methylene)propanedinitrile[bis(methylthio)methylene]propanedinitrile[bis(methylsulfanyl)methylene]malononitrilePropanedinitrile, (bis(methylthio)methylene)-[bis(methylsulfanyl)methylidene]propanedinitrile(dimethylthiomethylene)methane-1,1-dicarbonitrileBis(methylthio)methylenemalononitrile2-cyano-3

Datenbank-Bezeichner

CAS: 5147-80-8
PubChem CID: 99229
DTXSID: DTXSID8073344
EC Number: 689-903-4
Nikkaji: J314.838F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 98,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 213

Physikochemische Eigenschaften

Schmelzpunkt: 76 · 76-78°C
Siedepunkt: 248.3 · 248.3±40.0 °C(Predicted)
Dichte: 1.256 · 1.256±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: solid
Farbe: off-white
InChI: 1S/C6H6N2S2/c1-9-6(10-2)5(3-7)4-8/h1-2H3
InChIKey: FICQFRCPSFCFBY-UHFFFAOYSA-N
SMILES: CS\C(SC)=C(\C#N)C#N
EPA chemische Informationen: Propanedinitrile, [bis(methylthio)methylene]- (5147-80-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 2% (1 of 49) of reports.

Warning

H302 (93.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (12.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (16.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (16.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (12.2%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (14.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 49 reports by companies.；There are 6 notifications provided by 48 of 49 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (93.9%)；Acute Tox. 4 (12.2%)；Skin Irrit. 2 (16.3%)；Eye Irrit. 2 (16.3%)；Acute Tox. 4 (12.2%)；STOT SE 3 (14.3%)