2-Thiophenecarboxylic acid, 3-(chlorosulfonyl)-, methyl ester (HCID 2736733)

Names & identifiers

Preferred name: 2-Thiophenecarboxylic acid, 3-(chlorosulfonyl)-, methyl ester
IUPAC: methyl 3-chlorosulfonylthiophene-2-carboxylate
English name: Methyl 3-chlorosulfonylthiophene-2-carboxylate
Molecular formula: C6H5ClO4S2
Molecular weight: 240.68

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 97.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 294

Physicochemical properties

Melting point: 61 · 61-64 °C(lit.)
Boiling point: 364.8 · 364.8±27.0 °C(Predicted)
Density: 1.568 · 1.568±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
solubility: soluble in Toluene
form: Crystalline Powder
color: White to brown
Stability: 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 DataBase Reference: 59337 · 59337-92-7(CAS DataBase Reference)
EPA Substance Registry System: 2 · 2-Thiophenecarboxylic acid, 3-(chlorosulfonyl)-, methyl ester (59337-92-7)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C,Xi
Risk Statements: 34 · 34
Safety Statements: 26 · 26-27-36/37/39-45
RIDADR: 3261 · UN 3261 8/PG 3
WGK Germany: 3 · 3
Hazard Note: Corrosive
TSCA: TSCA listed
HazardClass: IRRITANT
PackingGroup: III
HS Code: 29349990 · 29349990
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesSkin Corr. 1 (100%)

Regulatory information

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 3
hs_code: 29349990
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xi
hazard_note: Corrosive
safety_code: 26-27-36/37/39-45
hazard_class: IRRITANT
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H314
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Thiophenecarboxylic acid, 3-(chlorosulfonyl)-, methyl ester: INACTIVE

Applications

Uses2-Carbomethoxy-3-thiophenesulfonyl chloride is widely employed as a sulfonylating reagent. It can be prepared from methyl 3-amino-2-thiophenecarboxylate.

General Description2-Carbomethoxy-3-thiophenesulfonyl chloride is widely employed as a sulfonylating reagent. It can be prepared from methyl 3-amino-2-thiophenecarboxylate.