3-(Chloromethyl)-1,2,4-oxadiazole

HCID 2735765CAS 51791-12-9

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Grundinformationen

Standard-SMILES: ClCc1ncon1
InChIKey: YSNKGJCEHOJIDK-UHFFFAOYSA-N
Summenformel: C3H3ClN2O
Durchschnittliche Molmasse: 118,52 g/mol
Monoisotopische Masse: 117,9933904

Namen und Bezeichner

Bevorzugter Name: 3-(Chloromethyl)-1,2,4-oxadiazole
IUPAC: 3-(chloromethyl)-1,2,4-oxadiazole
Englischer Name: 3-(Chloromethyl)-1,2,4-oxadiazole
Summenformel: C3H3ClN2O
Molmasse: 118.52

Namen und Synonyme

3-(chloromethyl)-1,2,4-oxadiazole51791-12-9DTXSID80370930RefChem:275255DTXCID00321964673-087-1MFCD000520973-chloromethyl-1,2,4-oxadiazole1,2,4-Oxadiazole, 3-(chloromethyl)-BUTTPARK 30\09-97SCHEMBL281886chloromethyl 1,2,4-oxadiazole

Weitere Namen anzeigen

3-(chloromethyl)-1,2,4-oxadiazole(SALTDATA: FREE)

TIMTEC-BB SBB005592YSNKGJCEHOJIDK-UHFFFAOYSA-NALBB-004227SBB005592AKOS001213661BS-12694SY0797513-(Chloromethyl)-1,2,4-oxadiazole, tech

Datenbank-Bezeichner

CAS: 51791-12-9
PubChem CID: 2735765
DTXSID: DTXSID80370930
EC Number: 673-087-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 38,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 7
Formalladung: 0
Komplexität: 60,9

Physikochemische Eigenschaften

Siedepunkt: 58 °C · 58 °C
Dichte: 1.372 · 1.372±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -1.81 · -1.81±0.32(Predicted)
CAS Datenbank: 51791 · 51791-12-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Danger

H227 (33.3%): Combustible liquid [Warning Flammable liquids]

P210, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.