2-Naphthylacetonitril

2-Naphthylacetonitrile

HCID 82008CAS 7498-57-9

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Grundinformationen

Standard-SMILES: N#CCc1ccc2ccccc2c1
InChIKey: LPCWDVLDJVZIHA-UHFFFAOYSA-N
Summenformel: C12H9N
Durchschnittliche Molmasse: 167,21 g/mol
Monoisotopische Masse: 167,07349929

Namen und Bezeichner

Bevorzugter Name: 2-Naphthylacetonitrile
IUPAC: 2-naphthalen-2-ylacetonitrile
Lokaler Name: 2-Naphthylacetonitril
Englischer Name: 2-Naphthylacetonitrile
Summenformel: C12H9N
Molmasse: 167.21

Namen und Synonyme

2-Naphthylacetonitrile2-Naphthaleneacetonitrile.beta.-NaphthyleneacetonitrileEINECS 231-352-5NSC 407556DTXSID90225942RefChem:88655beta-NaphthyleneacetonitrileDTXCID20148433231-352-5LPCWDVLDJVZIHA-UHFFFAOYSA-N7498-57-9

Weitere Namen anzeigen

2-Naphthylacetonitri2-Naphtylacetonitrile2-Naphthtyl acetonitrile(b-Naphthyl)acetonitrile2-Naphthylacetonitrile>(Naphth-2-yl)acetonitrile

2-(Naphthalen-2-yl)acetonitrile2-naphthalen-2-ylacetonitrile2-(2-naphthyl)acetonitrileMFCD000041222-NaphthylmethylcyanideFK3B32KF2J2-(2-naphthyl)ethanenitrileAKOS009156882

Datenbank-Bezeichner

CAS: 7498-57-9
PubChem CID: 82008
DTXSID: DTXSID90225942
UNII: FK3B32KF2J
EC Number: 231-352-5
Nikkaji: J307.845K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 23,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 212

Physikochemische Eigenschaften

Schmelzpunkt: 82 · 82-84 °C (lit.)
Siedepunkt: 303 °C · 303 °C (lit.)
Dichte: 1.092 g/mL · 1.092 g/mL at 25 °C (lit.)
Brechungsindex: 1.5785 · 1.5785 (estimate)
Flammpunkt: 303 °C · 303°C
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Ethyl Acetate (Slightly)
Aggregatzustand: Solid
Farbe: White to Off-White
Wasserlöslichkeit: Insoluble in water.
BRN: 1862879 · 1862879
InChI: InChI=1S/C12H9N/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-6,9H,7H2
InChIKey: LPCWDVLDJVZIHA-UHFFFAOYSA-N
SMILES: C1=C2C(C=CC=C2)=CC=C1CC#N
CAS Datenbank: 7498 · 7498-57-9(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Naphthylacetonitrile(7498-57-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (97.9%): 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 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (97.9%)

Sicherheitsdaten

wgk: 3
ridadr: 3276
hs_code: 29269090
risk_code: 20/21/22-34-11
hazard_code: Xn,C,F
safety_code: 36-24/25-45-36/37/39-26-16
hazard_class: 6.1
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral

Chemie und Industrie

Anwendungen

Verwenden2-Naphthylacetonitrile was used as starting reagent in the synthesis of 2-(1-cyano-1-(2-naphthyl))methylidene-3-phenyl-thiazolidine-4,5-dione.