2-Methoxy-5-pyridinecarbonitrile

HCID 2736776CAS 15871-85-9

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: COc1ccc(C#N)cn1
InChIKey: DFPYAQAFVHRSAG-UHFFFAOYSA-N
Summenformel: C7H6N2O
Durchschnittliche Molmasse: 134,14 g/mol
Monoisotopische Masse: 134,04801281

Namen und Bezeichner

Bevorzugter Name: 2-Methoxy-5-pyridinecarbonitrile
IUPAC: 6-methoxypyridine-3-carbonitrile
Englischer Name: 2-METHOXYPYRIDINE-5-CARBONITRILE
Summenformel: C7H6N2O
Molmasse: 134.14

Namen und Synonyme

2-Methoxy-5-pyridinecarbonitrileRefChem:474472625-759-015871-85-96-methoxynicotinonitrile2-METHOXYPYRIDINE-5-CARBONITRILE6-methoxypyridine-3-carbonitrile6-Methoxy-3-pyridinecarbonitrile3-PYRIDINECARBONITRILE, 6-METHOXY-5-cyano-2-methoxypyridineMFCD000849816-Methoxy-nicotinonitrile

Weitere Namen anzeigen

2-MetBUTTPARK 43\57-716-Methoxynicotinonitrile 97%

2-methoxy-5-cyanopyridine6-metoxynicotinonitrile6-methoxy-nicotin-nitrile6-methoxy-3-cyanopyridineSCHEMBL524681orb3030118SCHEMBL1145878SCHEMBL9479253

Datenbank-Bezeichner

CAS: 15871-85-9
PubChem CID: 2736776
DTXSID: DTXSID50371595
EC Number: 625-759-0
Nikkaji: J2.165.644E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 45,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 149

Physikochemische Eigenschaften

Schmelzpunkt: 93 · 93-97 °C (lit.)
Siedepunkt: 243 · 243.0±20.0 °C(Predicted)
Dichte: 1.16 · 1.16±0.1 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: solid
pka: -0.05 · -0.05±0.10(Predicted)
Farbe: White
InChI: 1S/C7H6N2O/c1-10-7-3-2-6(4-8)5-9-7/h2-3,5H,1H3
InChIKey: DFPYAQAFVHRSAG-UHFFFAOYSA-N
SMILES: COc1ccc(cn1)C#N
CAS Datenbank: 15871 · 15871-85-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (97.6%)

Sicherheitsdaten

wgk: 3
ridadr: 3276
hs_code: 2933399990
risk_code: 20/21/22-43-41-37/38
hazard_code: Xi,Xn
safety_code: 26-36/37/39-36/37
hazard_class: IRRITANT
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3