Grundinformationen
- Standard-SMILES
Cc1oc(N)c(C#N)c1C- InChIKey
ACHDPRAJHGRGDC-UHFFFAOYSA-N- Summenformel
- C7H8N2O
- Durchschnittliche Molmasse
- 136,15 g/mol
- Monoisotopische Masse
- 136,06366288
Namen und Bezeichner
- Bevorzugter Name
- 2-Amino-4,5-dimethyl-3-furancarbonitrile
- IUPAC
- 2-amino-4,5-dimethylfuran-3-carbonitrile
- Englischer Name
- 2-AMINO-4,5-DIMETHYL-3-FURANCARBONITRILE
- Summenformel
- C7H8N2O
- Molmasse
- 136.15
Namen und Synonyme
2-Amino-4,5-dimethyl-3-furancarbonitrileRefChem:464004625-598-65117-88-42-Amino-4,5-dimethylfuran-3-carbonitrile2-Amino-4,5-dimethyl-3-furonitrileMFCD002742643-Furancarbonitrile,2-amino-4,5-dimethyl-NSC686264SCHEMBL441084DTXSID10302744HMS1637M22
Weitere Namen anzeigen
2-Amino-4,5-dimethyl-3-furancarbonitrile 95%2-Amino-4,5-dimethylfuran-3-carbonitrile, 2-Amino-3-cyano-4,5-dimethylfuran(E)-Ethyl 4-Bromo-3-methyl-2-butenoate2-AMINO-4,5-DIMETHYL-3-FURANCARBONITRILE
FAA11788NSC153310SBB055771STK4222292-amino-3-cyano-4,5-dimethylfuraneAKOS001178125NSC 153310NSC-153310
Datenbank-Bezeichner
- CAS
5117-88-4- PubChem CID
- 290220
- DTXSID
DTXSID10302744- EC Number
- 625-598-6
- Nikkaji
- J1.494.572E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 63 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 172
Physikochemische Eigenschaften
- Schmelzpunkt
- 163 · 163-169 °C (lit.)
- storage temp.
- 2 · 2-8°C, protect from light
- Aggregatzustand
- powder
- Farbe
- Tan
- InChI
- 1S/C7H8N2O/c1-4-5(2)10-7(9)6(4)3-8/h9H2,1-2H3
- InChIKey
- ACHDPRAJHGRGDC-UHFFFAOYSA-N
- SMILES
- Cc1oc(N)c(C#N)c1C
- CAS Datenbank
- 5117 · 5117-88-4(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2932190090
- risk_code
- 20/21/22
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
Chemie und Industrie
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