3,5-Dichloro-4-hydroxybenzaldehyde

HCID 16839CAS 2314-36-5

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Grundinformationen

Standard-SMILES: O=Cc1cc(Cl)c(O)c(Cl)c1
InChIKey: LIYGCLJYTHRBQV-UHFFFAOYSA-N
Summenformel: C7H4Cl2O2
Durchschnittliche Molmasse: 191,01 g/mol
Monoisotopische Masse: 189,9588348

Namen und Bezeichner

Bevorzugter Name: 3,5-Dichloro-4-hydroxybenzaldehyde
IUPAC: 3,5-dichloro-4-hydroxybenzaldehyde
Englischer Name: 3,5-DICHLORO-4-HYDROXYBENZALDEHYDE
Summenformel: C7H4Cl2O2
Molmasse: 191.01

Namen und Synonyme

3,5-DICHLORO-4-HYDROXYBENZALDEHYDEDTXSID20177708NSC 31590RefChem:91472DTXCID40100199823-616-9LIYGCLJYTHRBQV-UHFFFAOYSA-N2314-36-5Benzaldehyde, 3,5-dichloro-4-hydroxy-MFCD000176053,5-Dichloro-4-hydroxy-benzaldehydeBenzaldehyde, 3,?5-?dichloro-?4-?hydroxy-

Weitere Namen anzeigen

AKOS B029235Nipaguard DCHB 302,6-Dichloro-4-formylphenol5-DICHLORO-4-HYDROXYBENZALDEHYDE3,5-Dichloro-4-hydroxybenzaldehyd

Benzaldehyde,3,5-dichloro-4-hydroxy-NSC31590SCHEMBL574999SCHEMBL5148307Benzaldehyde,5-dichloro-4-hydroxy-MSK159700NSC-31590SBB013572

Datenbank-Bezeichner

CAS: 2314-36-5
PubChem CID: 16839
DTXSID: DTXSID20177708
EC Number: 823-616-9
Nikkaji: J80.452E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 139

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index1457；1463；1467；1465；1465；1476；1479；1465

Physikochemische Eigenschaften

Schmelzpunkt: 154 °C · 154 °C
Siedepunkt: 256.7 · 256.7±35.0 °C(Predicted)
Dichte: 1.547 · 1.547±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: solid
pka: 4.85 · 4.85±0.23(Predicted)
Farbe: White
InChI: 1S/C7H4Cl2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H
InChIKey: LIYGCLJYTHRBQV-UHFFFAOYSA-N
SMILES: Oc1c(Cl)cc(C=O)cc1Cl
CAS Datenbank: 2314 · 2314-36-5

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, 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 3 reports by companies from 3 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.