3-(4-Chlorophenyl)prop-2-enal

HCID 5924929

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Grundinformationen

CAS: 1075-77-0
Standard-SMILES: O=C/C=C/c1ccc(Cl)cc1
InChIKey: HONRSHHPFBMLBT-OWOJBTEDSA-N
Summenformel: C9H7ClO
Durchschnittliche Molmasse: 166,6 g/mol
Monoisotopische Masse: 166,0185425

Namen und Bezeichner

Bevorzugter Name: 3-(4-Chlorophenyl)prop-2-enal
IUPAC: (E)-3-(4-chlorophenyl)prop-2-enal
Englischer Name: 4-Chlorocinnamaldehyde
Summenformel: C9H7ClO
Molmasse: 166.6

Namen und Synonyme

49678-02-64-CHLOROCINNAMALDEHYDE1075-77-03-(4-chlorophenyl)prop-2-enalRefChem:492945663-246-3887-559-1(E)-3-(4-Chlorophenyl)acrylaldehyde3-(4-Chlorophenyl)acrylaldehyde(E)-3-(4-chlorophenyl)prop-2-enalp-ChlorocinnamaldehydeMFCD00156880

Weitere Namen anzeigen

orocinnamaL4-CHLORO CINNAMALDEHYDE(E)-4-Chlorocinnamaldehyde4-ChlorocinnaMaldehyde 96%4- chlorocinnaMic aldehyde4-Chloro-trans-cinnamaldehyde(E)-3-(4-Chlorophenyl)propenal4-Chlorocinnamaldehyde USP/EP/BP

trans-p-Chlorocinnamaldehydetrans-4-chlorocinnamaldehyde(E)-3-(4-Chlorophenyl)-2-propenal2-Propenal, 3-(4-chlorophenyl)-, (2E)-4-Chlorocinnamaldehyde, 96%SCHEMBL431858SCHEMBL2342481HONRSHHPFBMLBT-OWOJBTEDSA-N

Datenbank-Bezeichner

CAS: 1075-77-0、49678-02-6
PubChem CID: 5924929
DTXSID: DTXSID401380742
EC Number: 663-246-3、887-559-1
Nikkaji: J432.421H、J953.646I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 146

Physikochemische Eigenschaften

Schmelzpunkt: 57 · 57-63°C
Siedepunkt: 115 °C · 115 °C(Press: 2 Torr)
Dichte: 1.192 · 1.192±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
Aggregatzustand: crystalline needles
Farbe: White to off-white
InChI: InChI=1S/C9H7ClO/c10-9-5-3-8(4-6-9)2-1-7-11/h1-7H/b2-1+
InChIKey: HONRSHHPFBMLBT-OWOJBTEDSA-N
SMILES: C(=O)/C=C/C1=CC=C(Cl)C=C1
CAS Datenbank: 49678 · 49678-02-6

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 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.