((Dimethylamino)methylene)propanedinitrile

HCID 28111

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Grundinformationen

CAS: 16849-88-0
Standard-SMILES: CN(C)C=C(C#N)C#N
InChIKey: LBUDLOYYNHQKQI-UHFFFAOYSA-N
Summenformel: C6H7N3
Durchschnittliche Molmasse: 121,14 g/mol
Monoisotopische Masse: 121,06399724

Namen und Bezeichner

Bevorzugter Name: ((Dimethylamino)methylene)propanedinitrile
IUPAC: 2-(dimethylaminomethylidene)propanedinitrile
Englischer Name: (Dimethylaminomethylene)malononitrile
Summenformel: C6H7N3
Molmasse: 121.14

Namen und Synonyme

16849-88-0MALONONITRILE, ((DIMETHYLAMINO)METHYLENE)-[(dimethylamino)methylene]malononitrile((Dimethylamino)methylene)malonitrilePropanedinitrile, 2-[(dimethylamino)methylene]-alpha-Cyano-beta-dimethylaminoacrylonitrileEINECS 240-873-7Propanedinitrile, ((dimethylamino)methylene)-Propanedinitrile, [(dimethylamino)methylene]-((Dimethylamino)methylene)malononitrileNSC 168421BRN 2038990

Weitere Namen anzeigen

3-DIMETHYLAMINO-2-CYANOACRYLONITRILE1-(dimethylamine)-2,2-dicyanoethylene(Dimethylaminomethylene)malononitrile2-DiMethylaMinoMethylene-Malononitrile2-CYANO-3-(DIMETHYLAMINO)ACRYLONITRILE((dimethylamino)methylene)-malononitril2-[(DIMETHYLAMINO)METHYLIDENE]MALONONITRILE

9VE2L03HB0NSC-168421((Dimethylamino)methylene)propanedinitrileDTXSID401685722-((DIMETHYLAMINO)METHYLENE)PROPANEDINITRILEPROPANEDINITRILE, 2-((DIMETHYLAMINO)METHYLENE)-[(Dimethylamino)methylene]propanedinitrileRefChem:390381

Datenbank-Bezeichner

CAS: 16849-88-0
PubChem CID: 28111
DTXSID: DTXSID40168572
UNII: 9VE2L03HB0
EC Number: 240-873-7
Nikkaji: J41.622C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 50,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 189

Physikochemische Eigenschaften

Schmelzpunkt: 84 · 84-85 °C(lit.)
Siedepunkt: 215.85 °C · 215.85°C (rough estimate)
Dichte: 1.0556 · 1.0556 (rough estimate)
Brechungsindex: 1.469 · 1.4690 (estimate)
storage temp.: -20 °C · -20°C Freezer
Löslichkeit: Methanol (Slightly), Water (Slightly)
Aggregatzustand: Solid
pka: -0.31 · -0.31±0.70(Predicted)
Farbe: Beige
CAS Datenbank: 16849 · 16849-88-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.