1-Phenylcyclopropancarbonitril

1-Phenylcyclopropanecarbonitrile

HCID 70288CAS 935-44-4

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Grundinformationen

Standard-SMILES: N#CC1(c2ccccc2)CC1
InChIKey: ZHFURHRJUWYDKG-UHFFFAOYSA-N
Summenformel: C10H9N
Durchschnittliche Molmasse: 143,18 g/mol
Monoisotopische Masse: 143,07349929

Namen und Bezeichner

Bevorzugter Name: 1-Phenylcyclopropanecarbonitrile
IUPAC: 1-phenylcyclopropane-1-carbonitrile
Lokaler Name: 1-Phenylcyclopropancarbonitril
Englischer Name: 1-Phenyl-1-cyclopropanecarbonitrile
Summenformel: C10H9N
Molmasse: 143.19

Namen und Synonyme

1-Phenylcyclopropanecarbonitrile935-44-41-Phenyl-1-cyclopropanecarbonitrile1-Cyano-1-phenylcyclopropane1-Phenylcyclopropyl cyanide1-Phenyl-cyclopropanecarbonitrile1-PhenylcyclopropanenitrileAE4DYL9333EINECS 213-304-5NSC-126430DTXSID80239452NSC 126430

Weitere Namen anzeigen

1-Phenylcyclopropan-carbonitrile1-Phenyl-1-cyclopeopanecarbonitrile1-phenyl-1-cyclopropyl methylonitrile1-Phenyl-1-cyclopropanecarbonitrile,97%

RefChem:76992DTXCID00161943213-304-5ZHFURHRJUWYDKG-UHFFFAOYSA-N1-phenylcyclopropane-1-carbonitrileCyclopropanecarbonitrile, 1-phenyl-MFCD00001270NSC126430

Datenbank-Bezeichner

CAS: 935-44-4
PubChem CID: 70288
DTXSID: DTXSID80239452
UNII: AE4DYL9333
EC Number: 213-304-5
Nikkaji: J236.483B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 23,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 188

Physikochemische Eigenschaften

Siedepunkt: 133 · 133-137 °C30 mm Hg(lit.)
Dichte: 1 g/mL · 1 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.539(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: Liquid
Wichte: 1 · 1.000
Farbe: Clear colorless to slightly yellow
InChI: InChI=1S/C10H9N/c11-8-10(6-7-10)9-4-2-1-3-5-9/h1-5H,6-7H2
InChIKey: ZHFURHRJUWYDKG-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2)(C#N)CC1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (97.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

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 42 reports by companies from 4 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.