CAS 75157-75-4 4-Methoxy-3,5-dimethylbenzene-1-sulfonyl chloride (HCID 22482321)

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Grundinformationen

CAS: 75157-75-4
Standard-SMILES: COc1c(C)cc(S(=O)(=O)Cl)cc1C
InChIKey: VEGVNPNJUIRSMO-UHFFFAOYSA-N
Summenformel: C9H11ClO3S
Durchschnittliche Molmasse: 234,7 g/mol
Monoisotopische Masse: 234,0117431

Namen und Bezeichner

Bevorzugter Name: 4-Methoxy-3,5-dimethylbenzene-1-sulfonyl chloride
IUPAC: 4-methoxy-3,5-dimethylbenzenesulfonyl chloride
Englischer Name: 4-methoxy-3,5-dimethylbenzenesulfonyl chloride
Summenformel: C9H11ClO3S
Molmasse: 234.7

Namen und Synonyme

75157-75-44-Methoxy-3,5-dimethylbenzene-1-sulfonyl chlorideDTXSID90626051RefChem:293822DTXCID30576804875-482-64-methoxy-3,5-dimethylbenzenesulfonyl chlorideMFCD09812558Benzenesulfonyl chloride, 4-methoxy-3,5-dimethyl-SCHEMBL5212407VEGVNPNJUIRSMO-UHFFFAOYSA-NALBB-011533

Weitere Namen anzeigen

4-methoxy-3,5-dimethylbenzenesulfonyl chloride(SALTDATA: FREE)

AKOS000157892LS-03692CS-02478843,5-Dimethyl-4-methoxybenzenesulfonylchlorideEN300-375803,5-Dimethyl-4-methoxybenzenesulfonyl chlorideH265303,5 dimethyl-4-methoxy benzenesulfonyl chloride

Datenbank-Bezeichner

CAS: 75157-75-4
PubChem CID: 22482321
DTXSID: DTXSID90626051
EC Number: 875-482-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 51,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 271

Physikochemische Eigenschaften

Aggregatzustand: solid
InChI: 1S/C9H11ClO3S/c1-6-4-8(14(10,11)12)5-7(2)9(6)13-3/h4-5H,1-3H3
InChIKey: VEGVNPNJUIRSMO-UHFFFAOYSA-N
SMILES: ClS(=O)(C1=CC(C)=C(OC)C(C)=C1)=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, 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.