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HCID 22482321Erstellt: 27. Oktober 2026

4-Methoxy-3,5-dimethylbenzene-1-sulfonyl chloride

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

https://huagongshe.com/de/chemical/22482321

Molekülstruktur von 4-Methoxy-3,5-dimethylbenzene-1-sulfonyl chloride

Identifikatoren & physikalische Daten

CAS No.	75157-75-4
Summenformel	C9H11ClO3S
Durchschnittliche Molmasse	234,7 g/mol
Monoisotopische Masse	234,0117431 g/mol
SMILES	COc1c(C)cc(S(=O)(=O)Cl)cc1C
InChIKey	VEGVNPNJUIRSMO-UHFFFAOYSA-N
PubChem CID	22482321
EC No.	875-482-6
DTXSID	DTXSID90626051

Chemische & physikalische Eigenschaften

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

GHS-Einstufung	DangerH314 (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.
Hazard Classes and Categories	Skin Corr. 1B (50%)Eye Irrit. 2 (50%)
Wassergefährdungsklasse (WGK)	WGK 3
R-Sätze (R)	36
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26
Gefahrenklasse	IRRITANTEye Irrit. 2
Lagerklasse	11 - Combustible Solids

CAS No.

75157-75-4

Summenformel

C9H11ClO3S

Durchschnittliche Molmasse

234,7 g/mol

Monoisotopische Masse

234,0117431 g/mol

SMILES

COc1c(C)cc(S(=O)(=O)Cl)cc1C

InChIKey

VEGVNPNJUIRSMO-UHFFFAOYSA-N

PubChem CID

22482321

EC No.

875-482-6

DTXSID

DTXSID90626051

Chemische & physikalische Eigenschaften

XLogP

2,6

Polarare Oberfläche (TPSA)

51,8

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

271

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 & Vorschriften

GHS-Einstufung

DangerH314 (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.

Hazard Classes and Categories

Skin Corr. 1B (50%)Eye Irrit. 2 (50%)

Wassergefährdungsklasse (WGK)

WGK 3

R-Sätze (R)

Gefahrensymbole

Sicherheitshinweise (S)

Gefahrenklasse

IRRITANTEye Irrit. 2

Lagerklasse

11 - Combustible Solids