2-Naphthonitril

2-Naphthalenecarbonitrile

HCID 11944CAS 613-46-7

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Grundinformationen

Standard-SMILES: N#Cc1ccc2ccccc2c1
InChIKey: AZKDTTQQTKDXLH-UHFFFAOYSA-N
Summenformel: C11H7N
Durchschnittliche Molmasse: 153,18 g/mol
Monoisotopische Masse: 153,05784922

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 2-Naphthalenecarbonitrile
IUPAC: naphthalene-2-carbonitrile
Lokaler Name: 2-Naphthonitril
Englischer Name: 2-Naphthonitrile
Summenformel: C11H7N
Molmasse: 153.18

Namen und Synonyme

2-Naphthonitrile613-46-72-Cyanonaphthalene2-NAPHTHALENECARBONITRILE2-Cyanonaphthylene2-Naphthalenenitrilebeta-Naphthonitrilebeta-CyanonaphthaleneDQG8D8B4F6NSC-4169DTXSID7060621RefChem:88638

Weitere Namen anzeigen

NSC4169NSC 41692-phthonitrileB-NAPHTHONITRILE2-Naphthonitirle2-cyanonaphtalene

DTXCID5043001210-344-5NAPHTHALENE-2-CARBONITRILEMFCD00016807.beta.-Naphthonitrile2-Naphthylcyanide.beta.-CyanonaphthaleneAI3-00234

Datenbank-Bezeichner

CAS: 613-46-7
PubChem CID: 11944
DTXSID: DTXSID7060621
UNII: DQG8D8B4F6
EC Number: 210-344-5
Nikkaji: J95.584A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,2
Polarare Oberfläche (TPSA): 23,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 200

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physikochemische Eigenschaften

Schmelzpunkt: 63 · 63-68 °C
Siedepunkt: 156 · 156-158°C 12mm
Dichte: 1.0755 · 1.0755
Brechungsindex: 1.621 · 1.6210 (estimate)
Flammpunkt: 156 · 156-158°C/12mm
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: soluble in Benzene,Methanol
Aggregatzustand: Crystalline Powder
Farbe: Off-white to beige
BRN: 1363868 · 1363868
InChI: 1S/C11H7N/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H
InChIKey: AZKDTTQQTKDXLH-UHFFFAOYSA-N
SMILES: N#Cc1ccc2ccccc2c1
CAS Datenbank: 613 · 613-46-7(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Naphthalenecarbonitrile(613-46-7)
EPA chemische Informationen: 2 · 2-Naphthalenecarbonitrile (613-46-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H300 (88.6%): Fatal if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 2 (88.6%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: 3276
hs_code: 29269090
RTECS-Nr.: QL5976350
risk_code: 20/21/22-51/53-41-37/38-25
hazard_code: Xn,N,T
safety_code: 36/37-61-45-36/37/39-26-39
hazard_class: 6.1
packing_group: III
Speicherklasse: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: Acute Tox. 2 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information2-Naphthalenecarbonitrile: INACTIVE

Anwendungen · 1 Eintrag

Verwenden2-Cyanonaphthalene [613-46-7], bnaphthonitrile, 2-naphthoic acid nitrile, Mr 153.17, mp 66℃, bp 303℃, forms colorless crystals that are readily soluble in ethanol. It is used in organic synthesis and suitable as a reaction medium for obtaining propylene from ethylene and 2-butene by olefin metathesis.