Basic information
- Standard SMILES
O=S(=O)(Cl)c1ccc(F)cc1- InChIKey
BFXHJFKKRGVUMU-UHFFFAOYSA-N- Molecular formula
- C6H4ClFO2S
- Average molar mass
- 194.61 g/mol
- Monoisotopic mass
- 193.96045627
Overview
reagent for protein studies by F-NMR
Names & identifiers
- Preferred name
- 4-Fluorobenzenesulfonyl chloride
- IUPAC
- 4-fluorobenzenesulfonyl chloride
- English name
- 4-Fluorobenzenesulfonyl chloride
- Molecular formula
- C6H4ClFO2S
- Molecular weight
- 194.61
Names & synonyms
4-Fluorobenzenesulfonyl chloride349-88-24-Fluorobenzenesulphonyl chloridep-Fluorobenzenesulfonyl chlorideBenzenesulfonyl chloride, 4-fluoro-4-Fluorophenylsulfonyl chlorideBenzenesulfonyl chloride, p-fluoro-2M9GLL38TNNSC-140128DTXSID3059846RefChem:99002DTXCID9038925
Show more names
uorobenzenesuL4-FluorobenzenesulfonylP-Fluorophenyl chloride4-Fluorbenzolsulfonylchloridchloro(4-fluorophenyl)sulfone4-fluoro-benzenesulfonylchloridBenzenesulfonyl chloride, 4-fp-Fluorophenylsulfonyl chloride
206-493-04-Fluorobenzene-1-Sulfonyl Chloride4-fluorobenzenesulfonylchloride4-fluorobenzenesulfonic acid chlorideMFCD000074384-fluoro-benzenesulfonyl chloride4-fluorobenzensulfonyl chlorideP-FLUOROBENZENESULPHONYL CHLORIDE
Database identifiers
- CAS
349-88-2- PubChem CID
- 9588
- DTXSID
DTXSID3059846- UNII
- 2M9GLL38TN
- EC Number
- 206-493-0
- Nikkaji
- J33G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 213
Experimental & physicochemical properties
Chemical ClassesToxic Gases & Vapors -> Acid Halides
SpringerMaterials PropertiesDielectric constant
Physical DescriptionMelting point = 30 deg C; [ChemIDplus] White solid; mp = 35-38 deg C; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 29 · 29-31 °C (lit.)
- Boiling point
- 95 · 95-96 °C/2 mmHg (lit.)
- Density
- 1.467 · 1.467 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- 0.1 g/mL, · dioxane: 0.1 g/mL, clear
- form
- Crystalline Low Melting Mass
- color
- White to light brown
- Sensitive
- Moisture Sensitive
- BRN
- 2091633 · 2091633
- Stability
- Moisture Sensitive
- InChI
- InChI=1S/C6H4ClFO2S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4H
- InChIKey
- BFXHJFKKRGVUMU-UHFFFAOYSA-N
- SMILES
- C1(S(Cl)(=O)=O)=CC=C(F)C=C1
- CAS DataBase Reference
- 349 · 349-88-2(CAS DataBase Reference)
- FDA UNII
- 2 M9GLL38TN · 2M9GLL38TN
- EPA Substance Registry System
- 4 · Benzenesulfonyl chloride, 4-fluoro- (349-88-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-28-36/37/39-45-28A-27
- RIDADR
- 3261 · UN 3261 8/PG 2
- WGK Germany
- 3 · 3
- Hazard Note
- Corrosive
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 29049090 · 29049090
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 B · Skin Corr. 1B
- REACH Registrations
- Active
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (36.2%): 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 105 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Status: Active Update: 07-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24567
Benzenesulfonyl chloride, 4-fluoro-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryReacts with water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See p-Toluenesulfonyl chloride.
Hazard Classes and CategoriesAcute Tox. 4 (36.2%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
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
- 29049090
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-28-36/37/39-45-28A-27
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- Hazard statements
- H314
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Chemistry & industry
Uses & manufacturing
UsesUsed as a reagent for studying proteins using fluorine nuclear magnetic resonance (F-NMR); [ChemIDplus]
General Manufacturing InformationBenzenesulfonyl chloride, 4-fluoro-: ACTIVE
Applications
Uses4-Fluorobenzenesulfonyl Chloride is found to be an excellent activating agent for the covalent attachment of biological substances to a variety of solid supports e.g. Sepharose beads. 4-Fluorobenzenesulfonyl Chloride is also used as a reagent for the studies of proteins by fluorine NMR.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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