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HCID 309458Erstellt: 27. Oktober 2026

2-Methoxy-4-nitrobenzenesulfonyl chloride

2-Methoxy-4-nitroben · 2-Methoxy-4-nitrobenzensul · 2-Methoxy-4-nitrobenzensulfonyl chloride · 2-METHOXY-4-NITROBENZENESULFONYL CHLORIDE · 2-METHOXY-4-NITROBENZENESULPHONYL CHLORIDE · 2-Methoxy-4-nitrobenzenesulfonylChloride>2-methoxy-4-nitrobenzene-1-sulfonyl chloride · Benzenesulfonyl chloride, 2-methoxy-4-nitro- · 2-Methoxy-4-nitrobenzenesulfonyl chloride 96%

https://huagongshe.com/de/chemical/309458

Molekülstruktur von 2-Methoxy-4-nitrobenzenesulfonyl chloride

Identifikatoren & physikalische Daten

CAS No.	21320-91-2
Summenformel	C7H6ClNO5S
Durchschnittliche Molmasse	251,64 g/mol
Monoisotopische Masse	250,9655212 g/mol
SMILES	COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Cl
InChIKey	QECYXMKYZQXEHM-UHFFFAOYSA-N
PubChem CID	309458
EC No.	627-635-1
DTXSID	DTXSID10309319

Chemische & physikalische Eigenschaften

XLogP	1,7
Polarare Oberfläche (TPSA)	97,6
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	5
Frei drehbare Bindungen	2
Schwere Atome	15
Formalladung	0
Komplexität	332
Schmelzpunkt	90-95 °C (lit.)
Siedepunkt	406.6±35.0 °C(Predicted)
Dichte	1.553±0.06 g/cm3(Predicted)
Lagerbedingungen	Inert atmosphere,Room Temperature
Löslichkeit	soluble in Toluene
Aggregatzustand	powder to crystal
Farbe	White to Light yellow
BRN	2136023
InChI	1S/C7H6ClNO5S/c1-14-6-4-5(9(10)11)2-3-7(6)15(8,12)13/h2-4H,1H3
InChIKey	QECYXMKYZQXEHM-UHFFFAOYSA-N
SMILES	COc1cc(ccc1S(Cl)(=O)=O)[N+]([O-])=O
CAS Datenbank	21320-91-2(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 4 notifications to the ECHA C&L Inventory.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. 1C (100%)
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	UN 1759 8/PG 2
Zollcode	29049090
R-Sätze (R)	34-29-14
Gefahrensymbole	C,Xi
hazard_note	Corrosive/Moisture Sensitive
Sicherheitshinweise (S)	26-36/37/39-45-8
Gefahrenklasse	8Skin Corr. 1B
Verpackungsgruppe	III
Lagerklasse	8A - Combustible corrosive hazardous materials

2-Methoxy-4-nitrobenzenesulfonyl chloride

CAS No.

21320-91-2

Summenformel

C7H6ClNO5S

Durchschnittliche Molmasse

251,64 g/mol

Monoisotopische Masse

250,9655212 g/mol

SMILES

COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Cl

InChIKey

QECYXMKYZQXEHM-UHFFFAOYSA-N

PubChem CID

309458

EC No.

627-635-1

DTXSID

DTXSID10309319

Chemische & physikalische Eigenschaften

XLogP

1,7

Polarare Oberfläche (TPSA)

97,6

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

332

Schmelzpunkt

90-95 °C (lit.)

Siedepunkt

406.6±35.0 °C(Predicted)

Dichte

1.553±0.06 g/cm3(Predicted)

Lagerbedingungen

Inert atmosphere,Room Temperature

Löslichkeit

soluble in Toluene

Aggregatzustand

powder to crystal

Farbe

White to Light yellow

BRN

2136023

InChI

1S/C7H6ClNO5S/c1-14-6-4-5(9(10)11)2-3-7(6)15(8,12)13/h2-4H,1H3

InChIKey

QECYXMKYZQXEHM-UHFFFAOYSA-N

SMILES

COc1cc(ccc1S(Cl)(=O)=O)[N+]([O-])=O

CAS Datenbank

21320-91-2(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung

DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 4 notifications to the ECHA C&L Inventory.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. 1C (100%)

Wassergefährdungsklasse (WGK)

UN-Transportnummer

UN 1759 8/PG 2

Zollcode

29049090

R-Sätze (R)

34-29-14

Gefahrensymbole

C,Xi

hazard_note

Corrosive/Moisture Sensitive

Sicherheitshinweise (S)

26-36/37/39-45-8

Gefahrenklasse

8Skin Corr. 1B

Verpackungsgruppe

III

Lagerklasse

8A - Combustible corrosive hazardous materials