Cyclopentanonoxim

Cyclopentanone, oxime

HCID 14500CAS 1192-28-5

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Grundinformationen

Standard-SMILES: ON=C1CCCC1
InChIKey: YGNXYFLJZILPEK-UHFFFAOYSA-N
Summenformel: C5H9NO
Durchschnittliche Molmasse: 99,13 g/mol
Monoisotopische Masse: 99,06841391

Namen und Bezeichner

Bevorzugter Name: Cyclopentanone, oxime
IUPAC: N-cyclopentylidenehydroxylamine
Lokaler Name: Cyclopentanonoxim
Englischer Name: Cyclopentanone oxime
Summenformel: C5H9NO
Molmasse: 99.13

Namen und Synonyme

Cyclopentanone oxime1192-28-5CYCLOPENTANONE, OXIMEDTXSID0020363QY3BV00PCYNSC-3164DTXCID40363RefChem:129872214-749-8CyclopentanoneoximeN-cyclopentylidenehydroxylaminecyclopentan-1-one oxime

Weitere Namen anzeigen

Cyclopentanone Oxime >Cyclopentanone oxime,99%CYCLOPENTANONE OXIME 97%N-Hydroxycyclopentan-1-imine

MFCD00001420(hydroxyimino)cyclopentaneCCRIS 7163NSC 3164EINECS 214-749-8UNII-QY3BV00PCYBRN 1853228AI3-23508

Datenbank-Bezeichner

CAS: 1192-28-5
PubChem CID: 14500
DTXSID: DTXSID0020363
ChEMBL: CHEMBL3188176
ChEBI: CHEBI:194672
UNII: QY3BV00PCY
EC Number: 214-749-8
Nikkaji: J123F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 32,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 80

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index972

Physikochemische Eigenschaften

Schmelzpunkt: 53 · 53-55 °C(lit.)
Siedepunkt: 196 °C · 196 °C(lit.)
Dichte: 1.0343 · 1.0343 (rough estimate)
Brechungsindex: 92 · 92
Flammpunkt: 198 °F · 198 °F
storage temp.: 2 · Storage temp. 2-8°C
Wasserlöslichkeit: Slightly soluble in water
Aggregatzustand: powder to crystal
pka: 12.42 · 12.42±0.20(Predicted)
Farbe: White to Almost white
Merck: 14 · 14,2719
CAS Datenbank: 1192 · 1192-28-5(CAS DataBase Reference)
EPA chemische Informationen: Cyclopentanone, oxime (1192-28-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (16.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (16.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (16.7%): 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, 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 6 reports by companies from 2 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.

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 1325 4.1/PG 2
hs_code: 29299090
RTECS-Nr.: GY5150000
risk_code: 36/37/38-22
Toxizität: mouse,LD50,unreported,1200mg/kg (1200mg/kg),AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)",Pharmaceutical Chemistry Journal Vol. 12, Pg. 227, 1978.
hazard_code: Xi
safety_code: 26-36/37/39-36