Basic information
- CAS
2547-61-7- Standard SMILES
O=S(=O)(Cl)C(Cl)(Cl)Cl- InChIKey
ZCPSWAFANXCCOT-UHFFFAOYSA-N- Molecular formula
- CCl4O2S
- Average molar mass
- 217.9 g/mol
- Monoisotopic mass
- 215.837311
Names & identifiers
- Preferred name
- Trichloromethanesulfonyl chloride
- IUPAC
- trichloromethanesulfonyl chloride
- English name
- Trichloromethanesulfonyl chloride
- Molecular formula
- CCl4O2S
- Molecular weight
- 217.89
Names & synonyms
Trichloromethanesulfonyl chloride2547-61-7TrichloromethanesulfonylchlorideTrichloromethylsulfonyl chlorideMethanesulfonyl chloride, trichloro-MFCD00007452Trichloromethanesulphonyl chlorideNSC-59663CCl4O2SEINECS 219-830-1NSC 59663RFE46TM7EU
Show more names
Trichloromesyl chloride.Trichlor-methansulfonylchloridtrichloro-methanesulfonylchloridTrichloromethanesulfonyl Chloride >Trichloromethanesulfonyl chloride,pract.TRICHLOROMETHANESULFONYL CHLORIDE, TECH.trichloromethanesulfonyl chloride CCl4O2S
SCHEMBL80212DTXSID0062507NSC59663EBC-51030AKOS006222950Trichloromethanesulfonyl chloride, 97%VS-08573DB-046708
Database identifiers
- CAS
2547-61-7- PubChem CID
- 75684
- DTXSID
DTXSID0062507- UNII
- RFE46TM7EU
- EC Number
- 219-830-1
- Nikkaji
- J150.148H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 157
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Physicochemical properties
- Melting point
- 137 · 137-140 °C(lit.)
- Boiling point
- 170 °C · 170°C
- Density
- 1.8252 · 1.8252 (estimate)
- solubility
- soluble in Toluene
- form
- solid
- color
- White to Almost white
- InChI
- 1S/CCl4O2S/c2-1(3,4)8(5,6)7
- InChIKey
- ZCPSWAFANXCCOT-UHFFFAOYSA-N
- SMILES
- ClC(Cl)(Cl)S(Cl)(=O)=O
- CAS DataBase Reference
- 2547 · 2547-61-7(CAS DataBase Reference)
- NIST Chemistry Reference
- Methanesulfonyl chloride, trichloro-(2547-61-7)
- EPA Substance Registry System
- Methanesulfonyl chloride, trichloro- (2547-61-7)
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, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Methanesulfonyl chloride, trichloro-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3261 8/PG 2
- hs_code
- 2904.10.5000
- risk_code
- 34-36/37
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- safety_code
- 26-27-28-36/37/39-45
- hazard_class
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationMethanesulfonyl chloride, trichloro-: INACTIVE
Applications
UsesTrichloromethanesulfonyl chloride is an efficient free radical chlorinating agent. It reacts with pent-4-enylcobaloximes in inert solvent under tugsten lamp irradiation to yield 2-(β,β,β- trichloroethyl)sulfolanes. It also reacts with trimethylsilyl enol ethers of acetophenones in the presence of a ruthenium (II) phosphine complex to yield 1-aryl-3,3-dichloropropen-1-one and α-chloroacetophenones.
General DescriptionTrichloromethanesulfonyl chloride is an efficient free radical chlorinating agent. It reacts with pent-4-enylcobaloximes in inert solvent under tugsten lamp irradiation to yield 2-(β,β,β- trichloroethyl)sulfolanes. It also reacts with trimethylsilyl enol ethers of acetophenones in the presence of a ruthenium (II) phosphine complex to yield 1-aryl-3,3-dichloropropen-1-one and α-chloroacetophenones.
Suppliers42 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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