2-Thiophenecarboxylic acid, 3-(chlorosulfonyl)-, methyl ester
Completing data — refresh the page later to see the latest
Basic information
- CAS
59337-92-7- Standard SMILES
COC(=O)c1sccc1S(=O)(=O)Cl- InChIKey
PJVJBDAUWILEOG-UHFFFAOYSA-N- Molecular formula
- C6H5ClO4S2
- Average molar mass
- 240.7 g/mol
- Monoisotopic mass
- 239.9317787
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 propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 97.1 Ų
- 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
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
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.
Upstream & downstream products
Downstream products
Related reactions
84 records
Compound notes
Loading…