Veratronitril
3,4-Dimethoxybenzonitrile
Daten werden ergänzt – lade die Seite später neu, um den aktuellen Stand zu sehen
Grundinformationen
- CAS
2024-83-1- Standard-SMILES
COc1ccc(C#N)cc1OC- InChIKey
OSEQIDSFSBWXRE-UHFFFAOYSA-N- Summenformel
- C9H9NO2
- Durchschnittliche Molmasse
- 163,17 g/mol
- Monoisotopische Masse
- 163,06332853
Namen und Bezeichner
- Bevorzugter Name
- 3,4-Dimethoxybenzonitrile
- IUPAC
- 3,4-dimethoxybenzonitrile
- Lokaler Name
- Veratronitril
- Englischer Name
- 2,3-Dimethoxybenzonitrile
- Summenformel
- C9H9NO2
- Molmasse
- 163.17
Namen und Synonyme
3,4-Dimethoxybenzonitrile2024-83-1VeratronitrileDTXSID40942354RefChem:901793DTXCID501326654217-969-24-CyanoveratroleBENZONITRILE, 3,4-DIMETHOXY-MFCD000018023,4-Dimethoxybenzoic acid nitrile3.4-Dimethoxybenzonitrile
Weitere Namen anzeigen
AKOS B004317O-VERATRONITRILE2-VERATRONITRILE3-CYANOVERATROLEAKOS BBS-00004470LABOTEST-BB LT00159775Vilanterol Impurity 71
3,4-dimethoxy-benzonitrile23024-83-13,4-dimethoxybenzenecarbonitrileNSC27016EINECS 217-969-23,4-dimethyoxybenzonitrile3.4-Dimethoxy-benzonitrileSCHEMBL509522
Datenbank-Bezeichner
- CAS
2024-83-1、23024-83-1- PubChem CID
- 74842
- DTXSID
DTXSID40942354- EC Number
- 217-969-2
- Nikkaji
- J126.365J
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 42,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 184
Physikochemische Eigenschaften
- Schmelzpunkt
- 68 · 68-70 °C(lit.)
- Siedepunkt
- 290.25 °C · 290.25°C (rough estimate)
- Dichte
- 1.2021 · 1.2021 (rough estimate)
- Brechungsindex
- 1.53 · 1.5300 (estimate)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Soluble in methanol.
- Aggregatzustand
- powder to crystal
- Farbe
- White to Light yellow
- BRN
- 1451651 · 1451651
- InChI
- 1S/C9H9NO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,1-2H3
- InChIKey
- OSEQIDSFSBWXRE-UHFFFAOYSA-N
- SMILES
- COc1ccc(cc1OC)C#N
- CAS Datenbank
- 2024 · 2024-83-1(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (97.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (97.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (97.8%): 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 45 reports by companies from 5 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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (97.8%)；Acute Tox. 4 (97.8%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (97.8%)；STOT SE 3 (97.8%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- 3276
- hs_code
- 2926907090
- RTECS-Nr.
- DI4355000
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn,T,Xi
Chemie und Industrie
Anwendungen
Verwenden3,4-Dimethoxybenzonitrile is used as an organic chemical synthesis intermediate.
Darstellung
synthetischeVeratraldoxime(88–89 g, 0.45 mol) was combined with acetic anhydride (100 g) in a 300-mL round-bottomed flask equipped with a ground-glass air condenser, and the mixture was cautiously heated. A vigorous reaction took place, at which point the flame (heating by oil bath; the author) was removed. After the reaction had subsided, the solution was gently refluxed for 2 h and then carefully poured, with stirring, into cold water (300 mL). Stirring was continued, and on cooling the nitrile separated as small, almost colorless crystals; these were collected by filtration and dried in air. The veratronitrile thus obtained was quite pure; yield 57–62 g (72–76%); mp 66–67 C°. 1-Cyanoacenaphthene 1403 can be synthesized from its carbaldoxime by dehydration with acetic anhydride in 87% yield. Whereas acetic anhydride usually serves as the solvent as well as the reactant, this procedure is performed in n-octane.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
21
Notizen zur Verbindung
Wird geladen…