3,5-Dichlorobenzenesulfonyl chloride
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Basic information
- CAS
705-21-5- Standard SMILES
O=S(=O)(Cl)c1cc(Cl)cc(Cl)c1- InChIKey
RJSQINMKOSOUGT-UHFFFAOYSA-N- Molecular formula
- C6H3Cl3O2S
- Average molar mass
- 245.5 g/mol
- Monoisotopic mass
- 243.89193338
Names & identifiers
- Preferred name
- 3,5-Dichlorobenzenesulfonyl chloride
- IUPAC
- 3,5-dichlorobenzenesulfonyl chloride
- English name
- 3,5-Dichlorobenzenesulfonyl chloride
- Molecular formula
- C6H3Cl3O2S
- Molecular weight
- 245.51
Names & synonyms
3,5-Dichlorobenzenesulfonyl chloride705-21-5RJSQINMKOSOUGT-UHFFFAOYSA-DTXSID70334940RefChem:91485DTXCID00286029627-769-0InChI=1/C6H3Cl3O2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3HRJSQINMKOSOUGT-UHFFFAOYSA-N3,5-Dichlorobenzene-1-Sulfonyl Chloride3,5-Dichlorobenzenesulphonyl chlorideMFCD00051698
Show more names
BUTTPARK 95\57-483,5-Dichlorobenzenesulfonyl c3,5-DichlorobenzenesulfonylChloride>Benzenesulfonyl chloride, 3,5-dichloro-3,5-Dichlorobenzenesulfonyl chloride,98%3,5-Dichlorobenzenesulfonyl chloride 97%3,5-Dichlorobenzene-1-sulfonyl chloride, 95%+
3,5-dichloro-benzenesulfonyl chloride3,5-dichlorobenzenesulfonylchloride(3,5-dichlorophenyl)chlorosulfoneBenzenesulfonyl chloride, 3,5-dichloro-3,5-dichlorophenylsulfonyl chlorideSCHEMBL1844643,5-dichlorophenylsulfonylchloride3,5-Dichlorophenyl sulfonylchloride
Database identifiers
- CAS
705-21-5- PubChem CID
- 522388
- DTXSID
DTXSID70334940- EC Number
- 627-769-0
- Nikkaji
- J2.649.742F
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Melting point
- 32 · 32-35 °C (lit.)
- Boiling point
- 83 · 83-84°C 0,1mm
- Density
- 1.636 · 1.636±0.06 g/cm3(Predicted)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- soluble in Toluene
- form
- powder to lump
- color
- White to Light yellow
- Sensitive
- Moisture Sensitive
- BRN
- 1528657 · 1528657
- InChI
- 1S/C6H3Cl3O2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H
- InChIKey
- RJSQINMKOSOUGT-UHFFFAOYSA-N
- SMILES
- Clc1cc(Cl)cc(c1)S(Cl)(=O)=O
- CAS DataBase Reference
- 705 · 705-21-5(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
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, 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 47 reports by companies from 5 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 1759 8/PG 2
- hs_code
- 29049090
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive/Moisture Sensitive
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- Hazard statements
- H314
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
Chemistry & industry
Applications
UsesBased on the study using 2,5-dichlorobenzenesulfonyl chloride, 3,5-dichlorobenzenesulfonyl chloride may act as a crosslinking agent for polyamides. It could react with –NH groups to enhance thermal stability (non-melting up to 1000°C), flame retardancy, and chemical resistance, though mechanical strength may decrease.[1]
Related reactions
85 records
Compound notes
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