4-Chlorobenzenesulfonyl chloride
Basic information
- CAS
98-60-2- Standard SMILES
O=S(=O)(Cl)c1ccc(Cl)cc1- InChIKey
ZLYBFBAHAQEEQQ-UHFFFAOYSA-N- Molecular formula
- C6H4Cl2O2S
- Average molar mass
- 211.06 g/mol
- Monoisotopic mass
- 209.9309059
Names & identifiers
- Preferred name
- 4-Chlorobenzenesulfonyl chloride
- IUPAC
- 4-chlorobenzenesulfonyl chloride
- English name
- 4-Chlorobenzenesulfonyl chloride
- Molecular formula
- C6H4Cl2O2S
- Molecular weight
- 211.07
Names & synonyms
4-Chlorobenzenesulfonyl chloride98-60-24-chlorobenzene-1-sulfonyl chlorideBenzenesulfonyl chloride, 4-chloro-4-CHLOROPHENYLSULFONYL CHLORIDEHSDB 5318p-ChlorobenzenesulfochlorideNSC 6956EINECS 202-685-3BRN 0511583UNII-H55O3362D6pChlorbenzensulfochlorid
Show more names
CHLOROBENZENESULFONYL CHLORIDE4-Chlorobenzene4-Chlorobenzenesulfop-Chlorbenzensulfochlorid4-Chlorophenylchloro sulfonep-Chlorobenzenesulfonylchlorip-chlorophenylsulfonylchloride4-chloro-benzenesulfonylchlorid
ZLYBFBAHAQEEQQ-UHFFFAOYSA-NSC-6956pChlorophenylsulfonyl chloridepChlorobenzenesulfonyl chlorideDTXSID4059174Benzenesulfonyl chloride, pchloroChlorid kyseliny pchlorbensulfonoveEC 202-685-3
Database identifiers
- CAS
98-60-2- PubChem CID
- 7398
- DTXSID
DTXSID4059174- UNII
- H55O3362D6
- EC Number
- 202-685-3
- Nikkaji
- J16.838F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 211
Experimental & physicochemical properties
Chemical ClassesToxic Gases & Vapors -> Acid Halides
SpringerMaterials PropertiesCrystal structure
Color/FormPRISMS OR PLATES FROM ETHER
SolubilityVERY SOL IN ETHER & BENZENE
Boiling Point141 °C @ 15 MM HG
Melting Point55 °C
Vapor Pressure0.00117 [mmHg]
Physical DescriptionWhite solid; [CHEMINFO]
Other Experimental PropertiesDECOMP IN HOT WATER & HOT ALCOHOL
Physicochemical properties
- Melting point
- 50 · 50-52 °C (lit.)
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, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 97 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
REACH registered substance: 4-chlorobenzenesulphonyl chloride (EC: 202-685-3)
4-Chlorobenzenesulphonyl chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Decomposes in water; A severe eye and moderate skin irritant based on animal studies; [CHEMINFO] Reacts violently with water; A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause edema and chemical pneumonitis; [MSDSonline]
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- F
- 21
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonyl chloride, 4-chloro-: ACTIVE
Applications
Uses4-Chlorobenzenesulfonyl chloride was used in the synthesis of precursors for the 3,4-pyridyne generation.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
676 records
Compound notes
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