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HCID 157296Erstellt: 26. Oktober 2026

2-Thiophenecarboxylic acid, 3-(isocyanatosulfonyl)-, methyl ester

2-methoxy carbonyl thiophen-3-sulfonyl isocyanate · methyl 3-isocyanatosulfonylthiophene-2-carboxylate · methyl 3-isocyanatosulfonyl-2-thiophene-carboxylate · 2-Thiophenecarboxylic acid, 3-(isocyanatosulfonyl)-, methyl ester

https://huagongshe.com/de/chemical/157296

Molekülstruktur von 2-Thiophenecarboxylic acid, 3-(isocyanatosulfonyl)-, methyl ester

Identifikatoren & physikalische Daten

CAS No.79277-18-2
SummenformelC7H5NO5S2
Durchschnittliche Molmasse247,3 g/mol
Monoisotopische Masse246,96091461 g/mol
SMILESCOC(=O)c1sccc1S(=O)(=O)N=C=O
InChIKeyVJQINSVXSJNRLA-UHFFFAOYSA-N
PubChem CID157296
EC No.410-550-7
DTXSIDDTXSID2073647

Chemische & physikalische Eigenschaften

XLogP2,2
Polarare Oberfläche (TPSA)126
H-Brücken-Donoren0
H-Brücken-Akzeptoren7
Frei drehbare Bindungen4
Schwere Atome15
Formalladung0
Komplexität392
Physical DescriptionCBILiquid
EPA chemische Informationen2-Thiophenecarboxylic acid, 3-(isocyanatosulfonyl)-, methyl ester (79277-18-2)

Sicherheit & Vorschriften

GHS-EinstufungDangerH317: May cause an allergic skin reaction [Warning Sensitization, Skin]H334: May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]H373 **: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P319, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
Regulatorische InformationenHazard Traits - Respiratory ToxicityAuthoritative List - EC Annex VI Resp. Sens. - Cat. 1Report - if used as a fragrance or flavor ingredient2-Thiophenecarboxylic acid, 3-(isocyanatosulfonyl)-, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Thiophenecarboxylic acid, 3-(isocyanatosulfonyl)-, methyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/3267
Hazard Classes and CategoriesSkin Irrit. 2 (100%)Skin Sens. 1 (100%)Eye Irrit. 2 (100%)Acute Tox. 4 (100%)Resp. Sens. 1 (100%)STOT SE 3 (100%)STOT RE 2 (100%)Specific target organ toxicity (repeated exposure) - category 2Respiratory sensitisation - category 1Skin sensitisation - category 1STOT RE 2 *
TSCA-Inventar-StatusTSCA listed
R-Sätze (R)2-14-42/43-48/22
GefahrensymboleE,Xn
Sicherheitshinweise (S)22-30-35-36/37