2-Bromo-4-chloro-5-fluorobenzenesulfonyl chloride
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Basic information
- CAS
874801-47-5- Standard SMILES
O=S(=O)(Cl)c1cc(F)c(Cl)cc1Br- InChIKey
RQBUYKWEMDXLCL-UHFFFAOYSA-N- Molecular formula
- C6H2BrCl2FO2S
- Average molar mass
- 307.95 g/mol
- Monoisotopic mass
- 305.832
Names & identifiers
- Preferred name
- 2-Bromo-4-chloro-5-fluorobenzenesulfonyl chloride
- IUPAC
- 2-bromo-4-chloro-5-fluorobenzenesulfonyl chloride
- English name
- 2-BROMO-4-CHLORO-5-FLUOROBENZENESULFONYL CHLORIDE
- Molecular formula
- C6H2BrCl2FO2S
- Molecular weight
- 307.95
Names & synonyms
2-Bromo-4-chloro-5-fluorobenzenesulfonyl chloride874801-47-5MFCD05664917DTXSID00661352CS-0359094F0331842-bromo-4-chloro-5-fluoro-benzenesulfonyl chloride2-Bromo-4-chloro-5-fluorobenzene-1-sulfonyl chlorideBenzenesulfonyl chloride, 2-bromo-4-chloro-5-fluoro-
Database identifiers
- CAS
874801-47-5- PubChem CID
- 44890840
- DTXSID
DTXSID00661352
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Boiling point
- 317.7 · 317.7±42.0 °C(Predicted)
- Density
- 1.943 · 1.943±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 361 · H361-H340
- Precautionary statements
- 501 · P501-P202-P201-P280-P308+P313-P405
- HS Code
- 2904990090 · 2904990090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2904990090
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- Hazard statements
- H361-H340
- Precautionary statements
- P501-P202-P201-P280-P308+P313-P405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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