CAS 58076-32-7 4-Propoxybenzene-1-sulfonyl chloride (HCID 12239196)

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Grundinformationen

CAS: 58076-32-7
Standard-SMILES: CCCOc1ccc(S(=O)(=O)Cl)cc1
InChIKey: LHYZGURMLPSRFU-UHFFFAOYSA-N
Summenformel: C9H11ClO3S
Durchschnittliche Molmasse: 234,7 g/mol
Monoisotopische Masse: 234,0117431

Namen und Bezeichner

Bevorzugter Name: 4-Propoxybenzene-1-sulfonyl chloride
IUPAC: 4-propoxybenzenesulfonyl chloride
Englischer Name: Benzenesulfonyl chloride, 4-propoxy-
Summenformel: C9H11ClO3S
Molmasse: 234.7

Namen und Synonyme

4-propoxybenzene-1-sulfonyl chlorideRefChem:526561860-095-758076-32-74-propoxybenzenesulfonyl chlorideBenzenesulfonyl chloride, 4-propoxy-4-Propoxy-BenzenesulfonylchlorideMFCD098093404-propoxy-Benzenesulfonyl chlorideSCHEMBL1189822DTXSID90481905LHYZGURMLPSRFU-UHFFFAOYSA-N

Weitere Namen anzeigen

4-propoxybenzene-1-sulfonylchlorideAKOS000155729DB-072412CS-0247347EN300-364884-propoxybenzene-1-sulfonyl chloride, AldrichCPR

Datenbank-Bezeichner

CAS: 58076-32-7
PubChem CID: 12239196
DTXSID: DTXSID90481905
EC Number: 860-095-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,2
Polarare Oberfläche (TPSA): 51,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 14
Formalladung: 0
Komplexität: 250

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

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

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

Aggregated GHS information provided per 2 reports by companies from 2 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.