Basic information
- Standard SMILES
O=S(=O)(Cl)c1cccs1- InChIKey
VNNLHYZDXIBHKZ-UHFFFAOYSA-N- Molecular formula
- C4H3ClO2S2
- Average molar mass
- 182.7 g/mol
- Monoisotopic mass
- 181.92629902
Names & identifiers
- Preferred name
- 2-Thiophenesulfonyl chloride
- IUPAC
- thiophene-2-sulfonyl chloride
- English name
- 2-Thiophenesulfonyl chloride
- Molecular formula
- C4H3ClO2S2
- Molecular weight
- 182.65
Names & synonyms
2-Thiophenesulfonyl chloride16629-19-9Thiophene-2-sulphonyl chlorideEINECS 240-677-1DTXSID9066093RefChem:483802DTXCID9035339240-677-1Thiophene-2-sulfonyl chloride2-Thienylsulfonyl chlorideMFCD00005426thiophene-2-sulfonylchloride
Show more names
AKOS B0193972-ThiophenesuL2-Thienylsulfonyl2-ThiophenesulfonylART-CHEM-BB B019397TIMTEC-BB SBB003729OTAVA-BB BB7020430954LABOTEST-BB LT00112344
2-thiophene sulfonyl chloridechloro-2-thienylsulfone2-thiophenesulfonylchloride2-thiophenesulphonyl chloridethiophenesulfonyl chloride2-thienylsulphonylchloride2-chlorosulfonyl thiophene2-chlorosulfonyl-thiophene
Database identifiers
- CAS
16629-19-9- PubChem CID
- 85518
- DTXSID
DTXSID9066093- EC Number
- 240-677-1
- Nikkaji
- J151.061D
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 181
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Physicochemical properties
- Melting point
- 30 · 30-32 °C(lit.)
- Boiling point
- 130 · 130-132 °C14 mm Hg(lit.)
- Density
- 1.534 · 1.534 (estimate)
- refractive index
- 1.5722 · 1.5722-1.5742
- Flash point
- 110 °C · >110°C
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- solubility
- soluble in Chloroform, Ethyl Acetate
- form
- solid
- color
- White to Almost white
- Water Solubility
- Reacts with water.
- Sensitive
- Moisture Sensitive
- BRN
- 123536 · 123536
- Stability
- Moisture sensitive
- InChI
- 1S/C4H3ClO2S2/c5-9(6,7)4-2-1-3-8-4/h1-3H
- InChIKey
- VNNLHYZDXIBHKZ-UHFFFAOYSA-N
- SMILES
- ClS(=O)(=O)c1cccs1
- CAS DataBase Reference
- 16629 · 16629-19-9(CAS DataBase Reference)
- NIST Chemistry Reference
- 2 · 2-Thiophene sulfonyl chloride(16629-19-9)
- EPA Substance Registry System
- 2 · 2-Thiophenesulfonyl chloride (16629-19-9)
- 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
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45-28A-25-27
- RIDADR
- 3261 · UN 3261 8/PG 2
- WGK Germany
- 3 · 3
- F
- 10 · 10-21
- Hazard Note
- Corrosive
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 29349990 · 29349990
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 B · Skin Corr. 1B
- Limited Quantities
- 1 Kg · 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
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 48 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- F
- 10-21
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29349990
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-45-28A-25-27
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- Hazard statements
- H314
- Limited Quantities
- 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- 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-Thiophenesulfonyl chloride: INACTIVE
Applications
Uses2-Thiophenesulfonyl chloride has been used in the preparation of 2-((trans-2-phenyl cyclopropyl)sulfonyl)thiophene
Uses2-Thiophenesulfonyl chloride is a compound used in the preparation of various pharmaceuticals. Thiophene-2-sulfonyl Chloride was used as an intermediate in the synthesis of β-Cell apoptosis supressor .
General DescriptionKinetics of reactions of 2-thiophenesulfonyl chloride with substituted anilines in methanol has been reported. Kinetics of solvolysis of 2-thiophenesulfonyl chloride in binary solvent mixtures has been studied.
Upstream & downstream products
Upstream raw materials
Downstream products
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