Chroman-4-one oxime

HCID 9673039

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Grundinformationen

CAS: 24541-01-3
Standard-SMILES: O/N=C1\CCOc2ccccc21
InChIKey: LOWLISSVPQGXNV-CSKARUKUSA-N
Summenformel: C9H9NO2
Durchschnittliche Molmasse: 163,17 g/mol
Monoisotopische Masse: 163,06332853

Namen und Bezeichner

Bevorzugter Name: Chroman-4-one oxime
IUPAC: (NE)-N-(2,3-dihydrochromen-4-ylidene)hydroxylamine
Englischer Name: Chroman-4-One Oxime
Summenformel: C9H9NO2
Molmasse: 163.17

Namen und Synonyme

CHROMAN-4-ONE OXIME535935-39-824541-01-3(4E)-2,3-Dihydro-4H-1-benzopyran-4-one oximeMFCD00463254(NE)-N-(2,3-dihydrochromen-4-ylidene)hydroxylamineN-(3,4-dihydro-2H-1-benzopyran-4-ylidene)hydroxylamineN-[(4E)-3,4-dihydro-2H-1-benzopyran-4-ylidene]hydroxylamineSCHEMBL803512SCHEMBL9411043SCHEMBL9411126(E)-CHROMAN-4-ONEOXIME

Weitere Namen anzeigen

(E)-Chroman-4-One Oxime(E)-Chroman-4-One Oxime(WXC02425)N-Hydroxy-2,3-dihydro-4H-chromen-4-imine4H-1-Benzopyran-4-one, 2,3-dihydro-, oxime

AKOS001404347NCGC00320519-01CS-0037400AB01138559-03F306550F601810

Datenbank-Bezeichner

CAS: 24541-01-3
PubChem CID: 9673039
EC Number: 127-288-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 41,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 191

Physikochemische Eigenschaften

Schmelzpunkt: 138 °C · 138 °C
Siedepunkt: 323.7 · 323.7±22.0 °C(Predicted)
Dichte: 1.26 · 1.26±0.1 g/cm3(Predicted)
pka: 10.83 · 10.83±0.20(Predicted)

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.