Cycloheptancarbonitril

Cycloheptanecarbonitrile

HCID 96653CAS 32730-85-1

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Grundinformationen

Standard-SMILES: N#CC1CCCCCC1
InChIKey: UIZRDFICGGONJJ-UHFFFAOYSA-N
Summenformel: C8H13N
Durchschnittliche Molmasse: 123,2 g/mol
Monoisotopische Masse: 123,10479942

Namen und Bezeichner

Bevorzugter Name: Cycloheptanecarbonitrile
IUPAC: cycloheptanecarbonitrile
Lokaler Name: Cycloheptancarbonitril
Englischer Name: CYCLOHEPTYL CYANIDE
Summenformel: C8H13N
Molmasse: 123.2

Namen und Synonyme

Cycloheptanecarbonitrile32730-85-1Cycloheptyl cyanideEINECS 251-180-4AI3-33238DTXSID50186404NSC 84183RefChem:129505DTXCID20108895251-180-4UIZRDFICGGONJJ-UHFFFAOYSA-NMFCD00004148

Weitere Namen anzeigen

CYANOCYCLOHEPTANETIMTEC-BB SBB008917Cycloheptane-1-carbonitrile

NSC84183cycloheptankohlenitrileCycloheptyl cyanide, 97%SCHEMBL59959SCHEMBL2533242SCHEMBL2538718SCHEMBL2539223SCHEMBL8075516

Datenbank-Bezeichner

CAS: 32730-85-1
PubChem CID: 96653
DTXSID: DTXSID50186404
EC Number: 251-180-4
Nikkaji: J275.840G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 23,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 112

Physikochemische Eigenschaften

Siedepunkt: 85 · 85-86 °C10 mm Hg(lit.)
Dichte: 0.925 g/mL · 0.925 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.464(lit.)
Flammpunkt: 185 °F · 185 °F
storage temp.: Sealed in dry,Room Temperature
CAS Datenbank: 32730 · 32730-85-1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): 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 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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 44 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.