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

HCID 2736733CAS 59337-92-7

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Grundinformationen

Standard-SMILES: COC(=O)c1sccc1S(=O)(=O)Cl
InChIKey: PJVJBDAUWILEOG-UHFFFAOYSA-N
Summenformel: C6H5ClO4S2
Durchschnittliche Molmasse: 240,7 g/mol
Monoisotopische Masse: 239,9317787

Namen und Bezeichner

Bevorzugter Name: 2-Thiophenecarboxylic acid, 3-(chlorosulfonyl)-, methyl ester
IUPAC: methyl 3-chlorosulfonylthiophene-2-carboxylate
Englischer Name: Methyl 3-chlorosulfonylthiophene-2-carboxylate
Summenformel: C6H5ClO4S2
Molmasse: 240.68

Namen und Synonyme

59337-92-72-Carbomethoxy-3-thiophenesulfonyl chloride2-Thiophenecarboxylic acid, 3-(chlorosulfonyl)-, methyl esterMethyl 3-(Chlorosulfonyl)-2-thiophenecarboxylateDTXSID90886355RefChem:483779DTXCID401025687627-732-9methyl 3-(chlorosulfonyl)thiophene-2-carboxylatemethyl 3-chlorosulfonylthiophene-2-carboxylateMFCD000681602-(methoxycarbonyl)thiophene-3-sulfonyl chloride

Weitere Namen anzeigen

AKOS 206-07BUTTPARK 27\06-40RARECHEM AM UC 0124Methyl 3-chlorosulfoLornoxicam Impurity G2-(Methoxycarbonyl)-3-thiophenesulfMETHYLCHLOROSULFONYLTHIOPHENECARBOXYLATE2-CARBOMETHOXY-3-THIOPHENESULFONYL CHLOR3-CHLOROSULFONYL-2-THIOPHENECARBOXYLIC A

Methyl-3-chlorosulfonylthiophene-2-carboxylate2-(Methoxycarbonyl)-3-thiophenesulfonyl ChlorideTenoxicam Impurity 23-chlorosulfonyl-2-thiophene carboxylic acid methyl ester2-methoxycarbonyl-3-thiophenesulfonyl chloridemethyl 3-(chlorosulphonyl)thiophene-2-carboxylateorb864218SCHEMBL388034

Datenbank-Bezeichner

CAS: 59337-92-7
PubChem CID: 2736733
DTXSID: DTXSID90886355
EC Number: 627-732-9、920-766-8
Nikkaji: J1.900.857F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 97,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 3
Schwere Atome: 13
Formalladung: 0
Komplexität: 294

Physikochemische Eigenschaften

Schmelzpunkt: 61 · 61-64 °C(lit.)
Siedepunkt: 364.8 · 364.8±27.0 °C(Predicted)
Dichte: 1.568 · 1.568±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Löslichkeit: soluble in Toluene
Aggregatzustand: Crystalline Powder
Farbe: White to brown
Stabilität: Moisture Sensitive
InChI: 1S/C6H5ClO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3
InChIKey: PJVJBDAUWILEOG-UHFFFAOYSA-N
SMILES: COC(=O)c1sccc1S(Cl)(=O)=O
CAS Datenbank: 59337 · 59337-92-7(CAS DataBase Reference)
EPA chemische Informationen: 2 · 2-Thiophenecarboxylic acid, 3-(chlorosulfonyl)-, methyl ester (59337-92-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (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 45 reports by companies from 5 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.