Basic information
- CAS
2489-52-3- Standard SMILES
O=S(=O)(F)c1cccc(S(=O)(=O)Cl)c1- InChIKey
ZPGHDPUCQANFAD-UHFFFAOYSA-N- Molecular formula
- C6H4ClFO4S2
- Average molar mass
- 258.7 g/mol
- Monoisotopic mass
- 257.9223568
Names & identifiers
- Preferred name
- Benzenesulfonyl fluoride, 3-(chlorosulfonyl)-
- IUPAC
- 3-chlorosulfonylbenzenesulfonyl fluoride
- English name
- 3-fluorosulphonylbenzenesulphonyl chloride
- Molecular formula
- C6H4ClFO4S2
- Molecular weight
- 258.6749632
Names & synonyms
Benzenesulfonyl fluoride, 3-(chlorosulfonyl)-Benzene-1,3-disulfonyl chloride fluoridem-Fluorosulfonylbenzenesulfonyl chlorideBenzenesulfonyl chloride, m-(fluorosulfonyl)-EINECS 219-643-5NSC 310025BRN 23788593-Fluorosulphonylbenzenesulphonyl chlorideDTXSID1062461RefChem:565058DTXCID4037166219-643-5
Show more names
3-(CHLOROSULFONYL)BENZENESULFONYL FLUORIDE
2489-52-33-chlorosulfonylbenzenesulfonyl fluoride3-(chlorosulfonyl)benzene-1-sulfonyl fluoridem-Benzenedisulfonyl chloride fluoridem-(Fluorosulfonyl)benzenesulfonyl chlorideBenzenesulfonylfluoride, 3-(chlorosulfonyl)-orb1986431SCHEMBL6514924
Database identifiers
- CAS
2489-52-3- PubChem CID
- 75603
- DTXSID
DTXSID1062461- EC Number
- 219-643-5
- Nikkaji
- J41.350J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 391
Physicochemical properties
- Density
- 1.622 · 1.622 (estimate)
- EPA Substance Registry System
- 3 · Benzenesulfonyl fluoride, 3-(chlorosulfonyl)- (2489-52-3)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H302-H335
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P270-P301+P312-P330-P501
- RIDADR
- 3265 · 3265
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- ridadr
- 3265
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H314-H302-H335
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonyl fluoride, 3-(chlorosulfonyl)-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers6 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
杭州陶瑞生物科技有限公司QQ1259737804 15268198094 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
4 records
Compound notes
Loading…