1-Naphthylacetonitril
1-Naphthaleneacetonitrile
Grundinformationen
- CAS
132-75-2- Standard-SMILES
N#CCc1cccc2ccccc12- InChIKey
OQRMWUNUKVUHQO-UHFFFAOYSA-N- Summenformel
- C12H9N
- Durchschnittliche Molmasse
- 167,21 g/mol
- Monoisotopische Masse
- 167,07349929
Namen und Bezeichner
- Bevorzugter Name
- 1-Naphthaleneacetonitrile
- IUPAC
- 2-naphthalen-1-ylacetonitrile
- Lokaler Name
- 1-Naphthylacetonitril
- Englischer Name
- 1-Naphthylacetonitrile
- Summenformel
- C12H9N
- Molmasse
- 167.21
Namen und Synonyme
1-Naphthylacetonitrile1-NAPHTHALENEACETONITRILEalpha-Naphthyl acetonitrileNSC 9844EINECS 205-078-1BRN 1101012OV0P82P2R0AI3-26061UNII-OV0P82P2R0DTXSID30596304-09-00-02428 (Beilstein Handbook Reference)NAPHAZOLINE HYDROCHLORIDE IMPURITY C [EP IMPURITY]
Weitere Namen anzeigen
ANNAFOMINA1-NAPHTHALENEACETO1-Naphthyl acetonitr1-Naphtylacetonitrile1-phthyl acetonitrileLABOTEST-BB LTBB001326a-naphthylacetonitrileNaphazoline Impurity CNaphazoline Impurity 3
NAPHAZOLINE HYDROCHLORIDE IMPURITY C (EP IMPURITY)RefChem:76453DTXCID3034080OQRMWUNUKVUHQO-UHFFFAOYSA-N132-75-22-(Naphthalen-1-yl)acetonitrile1-Naphthyl acetonitrile2-(1-naphthyl)acetonitrile
Datenbank-Bezeichner
- CAS
132-75-2- PubChem CID
- 8596
- DTXSID
DTXSID3059630- UNII
- OV0P82P2R0
- EC Number
- 205-078-1
- Nikkaji
- J30.383F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,9
- Polarare Oberfläche (TPSA)
- 23,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 212
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesSurface tension
Physikochemische Eigenschaften
- Schmelzpunkt
- 33 · 33-35 °C(lit.)
- Siedepunkt
- 191 · 191-194 °C18 mm Hg(lit.)
- Dichte
- 1.111 · 1.1110 (rough estimate)
- Brechungsindex
- 20 · n20/D 1.6192(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform (Sparingly), Dichloromethane (Slightly), Methanol (Slightly)
- Aggregatzustand
- Liquid After Melting
- Farbe
- Clear yellow to brown
- BRN
- 1101012 · 1101012
- InChI
- InChI=1S/C12H9N/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8H2
- InChIKey
- OQRMWUNUKVUHQO-UHFFFAOYSA-N
- SMILES
- C1(CC#N)=C2C(C=CC=C2)=CC=C1
- CAS Datenbank
- 132 · 132-75-2(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · 1-Naphthaleneacetonitrile(132-75-2)
- EPA chemische Informationen
- 1 · 1-Naphthaleneacetonitrile (132-75-2)
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
This chemical does not meet GHS hazard criteria for 4% (2 of 50) of reports.
Warning
H302 (92%): Harmful if swallowed [Warning Acute toxicity, oral]
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 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 31-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26186
Hazard Classes and CategoriesAcute Tox. 4 (92%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 3276
- hs_code
- 29269090
- RTECS-Nr.
- AM1240000
- risk_code
- 20/21/22-36/37/38-22
- Toxizität
- mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03835,
- hazard_code
- Xn
- safety_code
- 26-37/39-24/25-37-36
- hazard_class
- 6.1
- packing_group
- III
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information1-Naphthaleneacetonitrile: INACTIVE
Anwendungen
Verwenden2-(Naphthalen-1-yl)acetonitrile is useful for the preparation of tert-Bu benzoates.
Darstellung
synthetischeSynthesis of 1-naphthylacetonitrile: 695g of 1-chloromethyl naphthalene, 1500ml of methanol and 475ml of water, 350g of sodium cyanide mixture boiling reflux, stirring the reaction for 2h. 1300ml of methanol was evaporated, cooled, and the reactants were washed with water to neutral to obtain 670-680g of 1-naphthylacetonitrile.
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