3-Chlor-p-anisaldehyd

3-Chloro-4-methoxybenzaldehyde

HCID 78619CAS 4903-09-7

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Grundinformationen

Standard-SMILES: COc1ccc(C=O)cc1Cl
InChIKey: WYVGYYIZXPXHAZ-UHFFFAOYSA-N
Summenformel: C8H7ClO2
Durchschnittliche Molmasse: 170,59 g/mol
Monoisotopische Masse: 170,0134572

Namen und Bezeichner

Bevorzugter Name: 3-Chloro-4-methoxybenzaldehyde
IUPAC: 3-chloro-4-methoxybenzaldehyde
Lokaler Name: 3-Chlor-p-anisaldehyd
Englischer Name: 3-Chloro-4-methoxybenzaldehyde
Summenformel: C8H7ClO2
Molmasse: 170.59

Namen und Synonyme

3-Chloro-4-methoxybenzaldehyde4903-09-73-ChloroanisaldehydeDTXSID50197671RefChem:911242DTXCID10120162225-532-23-Chloro-p-anisaldehydeBenzaldehyde, 3-chloro-4-methoxy-3-Chloro-anisaldehydeMFCD000166013-Chloro-4-methoxy-benzaldehyde

Weitere Namen anzeigen

40903-09-7AKOS B029259TIMTEC-BB SBB003854CHEMBRDG-BB 69458164-Methoxy-3-chlorobenzaldehyde3-CHLORO-P-ANISALDEHYDE, 98+% GC

SCHEMBL335717SCHEMBL5541711SCHEMBL29952908CHEBI:200810EINECS 225-532-2CL8902SBB003854STK198720

Datenbank-Bezeichner

CAS: 4903-09-7
PubChem CID: 78619
DTXSID: DTXSID50197671
ChEBI: CHEBI:200810
EC Number: 225-532-2
Nikkaji: J262.523G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 138

Physikochemische Eigenschaften

Schmelzpunkt: 56 · 56-60 °C (lit.)
Siedepunkt: 128 °C · 128 °C(Press: 5 Torr)
Dichte: 1.244 · 1.244±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
Farbe: White to Almost white
InChI: 1S/C8H7ClO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3
InChIKey: WYVGYYIZXPXHAZ-UHFFFAOYSA-N
SMILES: [H]C(=O)c1ccc(OC)c(Cl)c1
CAS Datenbank: 4903 · 4903-09-7(CAS DataBase Reference)

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 6 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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29130000
safety_code: 22-24/25
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

Verwenden3-Chloro-4-methoxybenzaldehyde is mainly used in organic synthesis, as a drug intermediate and chemical reagent, and is widely used in pharmaceuticals, materials science and other fields.