2-Chloro-3-fluorobenzaldehyde

HCID 14944905CAS 96516-31-3

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Grundinformationen

Standard-SMILES: O=Cc1cccc(F)c1Cl
InChIKey: PIZVRLVKXWEMGO-UHFFFAOYSA-N
Summenformel: C7H4ClFO
Durchschnittliche Molmasse: 158,56 g/mol
Monoisotopische Masse: 157,9934706

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-3-fluorobenzaldehyde
IUPAC: 2-chloro-3-fluorobenzaldehyde
Englischer Name: 2-Chloro-3-fluorobenzaldehyde
Summenformel: C7H4ClFO
Molmasse: 158.56

Namen und Synonyme

2-Chloro-3-fluorobenzaldehyde96516-31-3DTXSID00565846RefChem:258535DTXCID10516622872-610-2MFCD077820532-Chloro-3-fluoro-benzaldehydeBenzaldehyde, 2-chloro-3-fluoro-starbld00089542-chlorofluorobenzaldehyde3-Fluoro-2-chlorobenzaldehyde

Weitere Namen anzeigen

2-CHLORO-3-FLUOROBENZALDEHYDE ISO 9001：2015 REACH

SCHEMBL561472SCHEMBL2045858SCHEMBL29519637PIZVRLVKXWEMGO-UHFFFAOYSA-NCL8262AKOS005063859AC-2298CS-W007812

Datenbank-Bezeichner

CAS: 96516-31-3
PubChem CID: 14944905
DTXSID: DTXSID00565846
EC Number: 872-610-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 129

Physikochemische Eigenschaften

Schmelzpunkt: 29 · 29-32℃
Siedepunkt: 211 · 211.0±20.0℃ (760 Torr)
Dichte: 1.352 · 1.352±0.06 g/cm3 (20 ºC 760 Torr)
Flammpunkt: 81.4 · 81.4±21.8℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: Crystalline Powder
Farbe: White

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 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.