3-Chloro-4-fluorobenzenesulphonyl chloride
Completing data — refresh the page later to see the latest
Basic information
- CAS
91170-93-3- Standard SMILES
O=S(=O)(Cl)c1ccc(F)c(Cl)c1- InChIKey
DXFXNSNBZNELII-UHFFFAOYSA-N- Molecular formula
- C6H3Cl2FO2S
- Average molar mass
- 229.06 g/mol
- Monoisotopic mass
- 227.92148392
Names & identifiers
- Preferred name
- 3-Chloro-4-fluorobenzenesulphonyl chloride
- IUPAC
- 3-chloro-4-fluorobenzenesulfonyl chloride
- English name
- 3-Chloro-4-fluorobenzenesulfonyl chloride
- Molecular formula
- C6H3Cl2FO2S
- Molecular weight
- 229.06
Names & synonyms
91170-93-33-Chloro-4-fluorobenzenesulphonyl chlorideDTXSID90238436RefChem:93424DTXCID10160927DXFXNSNBZNELII-UHFFFAOYSA-N3-Chloro-4-fluorobenzenesulfonyl chloride3-chloro-4-fluorobenzene-1-sulfonyl chlorideMFCD000414443-Chloro-4-fluorobenzenesulphonylchlorideBenzenesulfonyl chloride, 3-chloro-4-fluoro-3-chloro-4-fluorophenylsulfonyl chloride
Show more names
1170-93-33-CHLORO-4-FLUOROBEN3-Chloro-4-fluorobenzenesul3-Chloro-4-fluorobenzene chloride3-Chloro-4-fluorobenzenesulphonylchloride98%3-Chloro-4-fluorobenzenesulfonyl chloride,99%
3-Chloro-4-fluorobenzenesulfonyl chlorid3-chloro-4-fluoro-benzenesulfonyl chlorideSCHEMBL67606ALBB-001011SBB046747STK502402AKOS000265230chloro(3-chloro-4-fluorophenyl)sulfone
Database identifiers
- CAS
91170-93-3- PubChem CID
- 145222
- DTXSID
DTXSID90238436- EC Number
- 628-259-0
- Nikkaji
- J2.447.026A
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Boiling point
- 104 · 104-105 °C1 mm Hg(lit.)
- Density
- 1.61 g/mL · 1.610 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.5220(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Inert atmosphere,Room Temperature
- form
- clear liquid
- color
- Light yellow to Yellow to Orange
- Sensitive
- Moisture Sensitive
- CAS DataBase Reference
- 91170 · 91170-93-3(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 290 · H290-H318-H314
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P234-P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501-P260h-P301+P330+P331-P303+P361+P353-P501a
- Hazard Codes
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, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29049090
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- II
- Hazard statements
- H290-H318-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)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
42 records
Compound notes
Loading…