HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke

HCID 2776141Erstellt: 27. Oktober 2026

5-Methyl-1,2-oxazole-4-sulfonyl chloride

5-Methylisoxazole-4-sulfonylchloride · 5-Methyl-4-isoxazolesulfonyl chloride · 5-Methyl-isoxazol-4-sulfonyl chloride · 4-(Chlorosulphonyl)-5-methylisoxazole · 5-METHYL-4-ISOXAZOLESULPHONYL CHLORIDE · 5-Methylisoxazole-4-sulphonyl chloride · 4-Isoxazolesulfonyl chloride, 5-Methyl- · 5-Methyl-1,2-oxazole-4-sulfonyl chloride

https://huagongshe.com/de/chemical/2776141

Molekülstruktur von 5-Methyl-1,2-oxazole-4-sulfonyl chloride

Identifikatoren & physikalische Daten

CAS No.	321309-26-6
Summenformel	C4H4ClNO3S
Durchschnittliche Molmasse	181,6 g/mol
Monoisotopische Masse	180,9600419 g/mol
SMILES	Cc1oncc1S(=O)(=O)Cl
InChIKey	STYUNYVEEFPQMF-UHFFFAOYSA-N
PubChem CID	2776141
EC No.	812-451-8
DTXSID	DTXSID30379837

Chemische & physikalische Eigenschaften

XLogP	0,8
Polarare Oberfläche (TPSA)	68,6
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	1
Schwere Atome	10
Formalladung	0
Komplexität	209
Siedepunkt	56-58°C 0,7mm
Dichte	1.534±0.06 g/cm3(Predicted)
Lagerbedingungen	under inert gas (nitrogen or Argon) at 2-8°C
pKa (Säurekonstante)	-7.68±0.50(Predicted)
Aggregatzustand	low melting solid
Farbe	Colourless to light brown
InChI	1S/C4H4ClNO3S/c1-3-4(2-6-9-3)10(5,7)8/h2H,1H3
InChIKey	STYUNYVEEFPQMF-UHFFFAOYSA-N
SMILES	Cc1oncc1S(Cl)(=O)=O

Sicherheit & Vorschriften

GHS-Einstufung	DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory 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 4 reports by companies from 3 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 (100%)STOT SE 3 (50%)
Wassergefährdungsklasse (WGK)	WGK 3
UN-Transportnummer	3261
Zollcode	2934999090
R-Sätze (R)	34-36
Gefahrensymbole	C,Xi
hazard_note	Corrosive
Sicherheitshinweise (S)	26-36/37/39
Gefahrenklasse	8
Verpackungsgruppe	Ⅲ
Lagerklasse	11 - Combustible Solids

5-Methyl-1,2-oxazole-4-sulfonyl chloride

CAS No.

321309-26-6

Summenformel

C4H4ClNO3S

Durchschnittliche Molmasse

181,6 g/mol

Monoisotopische Masse

180,9600419 g/mol

SMILES

Cc1oncc1S(=O)(=O)Cl

InChIKey

STYUNYVEEFPQMF-UHFFFAOYSA-N

PubChem CID

2776141

EC No.

812-451-8

DTXSID

DTXSID30379837

Chemische & physikalische Eigenschaften

XLogP

0,8

Polarare Oberfläche (TPSA)

68,6

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

209

Siedepunkt

56-58°C 0,7mm

Dichte

1.534±0.06 g/cm3(Predicted)

Lagerbedingungen

under inert gas (nitrogen or Argon) at 2-8°C

pKa (Säurekonstante)

-7.68±0.50(Predicted)

Aggregatzustand

low melting solid

Farbe

Colourless to light brown

InChI

1S/C4H4ClNO3S/c1-3-4(2-6-9-3)10(5,7)8/h2H,1H3

InChIKey

STYUNYVEEFPQMF-UHFFFAOYSA-N

SMILES

Cc1oncc1S(Cl)(=O)=O

Sicherheit & Vorschriften

GHS-Einstufung

DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory 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 4 reports by companies from 3 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 (100%)STOT SE 3 (50%)

Wassergefährdungsklasse (WGK)

WGK 3

UN-Transportnummer

3261

Zollcode

2934999090

R-Sätze (R)

34-36

Gefahrensymbole

C,Xi

hazard_note

Corrosive

Sicherheitshinweise (S)

26-36/37/39

Gefahrenklasse

Verpackungsgruppe

Ⅲ

Lagerklasse

11 - Combustible Solids