4-Ethoxybenzoyl Chloride

HCID 140059CAS 16331-46-7

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CCOc1ccc(C(=O)Cl)cc1
InChIKey: XLWQUESMILVIPR-UHFFFAOYSA-N
Summenformel: C9H9ClO2
Durchschnittliche Molmasse: 184,62 g/mol
Monoisotopische Masse: 184,0291072

Namen und Bezeichner

Bevorzugter Name: 4-Ethoxybenzoyl Chloride
IUPAC: 4-ethoxybenzoyl chloride
Englischer Name: 4-Ethoxybenzoyl chloride
Summenformel: C9H9ClO2
Molmasse: 184.62

Namen und Synonyme

4-Ethoxybenzoyl chloride16331-46-7p-Ethoxybenzoyl chlorideDTXSID40167565RefChem:98839DTXCID9090056605-323-6XLWQUESMILVIPR-UHFFFAOYSA-N4-ethoxybenzoylchlorideBenzoyl chloride, 4-ethoxy-p-ethoxy benzoyl chloride4-Ethoxy-benzoyl chloride

Weitere Namen anzeigen

SKL1278NISTC163314674-Ethoxybenzoyl chlo4-EthoxybenzoylChloro4-EthoxybenzoylChloride>4-ETHYLOXYBENZOYL CHLORIDE4-ETHOXYBENZOYL CHLORIDE 98%

MFCD000006884-ethyloxybenzoyl chloridepara-ethoxybenzoyl chlorideSCHEMBL2756464-Ethoxybenzoyl chloride, 98%Sildenafil Impurity 187A810467SCHEMBL27526581

Datenbank-Bezeichner

CAS: 16331-46-7
PubChem CID: 140059
DTXSID: DTXSID40167565
EC Number: 605-323-6
Nikkaji: J32.749B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,4
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 151

Physikochemische Eigenschaften

Schmelzpunkt: 22 °C · 22 °C
Siedepunkt: 142 · 142-145 °C20 mm Hg(lit.)
Dichte: 1.2 · 1.2
Brechungsindex: 20 · n20/D 1.5672(lit.)
Flammpunkt: 230 °F · >230 °F
Aggregatzustand: Liquid or LMS
Wichte: 1.2 · 1.20
Farbe: Colorless to yellow or white to yellow
InChI: 1S/C9H9ClO2/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3
InChIKey: XLWQUESMILVIPR-UHFFFAOYSA-N
SMILES: CCOc1ccc(cc1)C(Cl)=O
CAS Datenbank: 16331 · 16331-46-7(CAS DataBase Reference)
NIST chemische Informationen: 4 · 4-Ethoxybenzoyl chloride(16331-46-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (97.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 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.