4-Chloro-3-(chlorosulfonyl)benzene-1-sulfonyl fluoride
Basic information
- CAS
79005-54-2- Standard SMILES
O=S(=O)(F)c1ccc(Cl)c(S(=O)(=O)Cl)c1- InChIKey
KPAMMSNSYXURNH-UHFFFAOYSA-N- Molecular formula
- C6H3Cl2FO4S2
- Average molar mass
- 293.1 g/mol
- Monoisotopic mass
- 291.8833845
Names & identifiers
- Preferred name
- 4-Chloro-3-(chlorosulfonyl)benzene-1-sulfonyl fluoride
- IUPAC
- 4-chloro-3-chlorosulfonylbenzenesulfonyl fluoride
Names & synonyms
79005-54-2DTXSID203170264-Chloro-3-(chlorosulfonyl)benzene-1-sulfonyl fluorideRefChem:291607DTXCID602681494-chloro-3-chlorosulfonyl-benzenesulfonyl fluoride2-CHLORO-5-FLUOROSULFONYLBENZENESULFONYL CHLORIDE4-chloro-3-chlorosulfonylbenzenesulfonyl fluorideC6H3Cl2FO4S2NSC310166MFCD00086219AKOS016016487
Show more names
NSC-310166DS-0053064-chloro-3-chlorosulfonyl-benzenesulfonylfluoride4-chloro-3-(chlorosulfonyl)benzenesulfonyl fluoride
Database identifiers
- CAS
79005-54-2- PubChem CID
- 329059
- DTXSID
DTXSID20317026- EC Number
- 804-313-0
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 421
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, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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