5-Bromo-2-fluoro-4-methylbenzene-1-sulfonyl chloride
Basic information
- CAS
874801-49-7- Standard SMILES
Cc1cc(F)c(S(=O)(=O)Cl)cc1Br- InChIKey
QPWWMIMINMOAGF-UHFFFAOYSA-N- Molecular formula
- C7H5BrClFO2S
- Average molar mass
- 287.53 g/mol
- Monoisotopic mass
- 285.88662
Names & identifiers
- Preferred name
- 5-Bromo-2-fluoro-4-methylbenzene-1-sulfonyl chloride
- IUPAC
- 5-bromo-2-fluoro-4-methylbenzenesulfonyl chloride
- English name
- 5-Bromo-2-fluoro-4-methylbenzenesulfonyl chloride
- Molecular formula
- C7H5BrClFO2S
- Molecular weight
- 287.53
Names & synonyms
874801-49-75-Bromo-2-fluoro-4-methylbenzenesulfonyl chloride5-Bromo-2-fluoro-4-methylbenzene-1-sulfonyl chlorideSCHEMBL17203486DTXSID60661353H59129F0331865-bromo-2-fluoro-4-methyl-benzenesulfonyl chloride5-Bromo-2-fluoro-4-methylbenzene-1-sulfonylchloride5-BROMO-2-FLUORO-4-METHLPHENYLSULFONYL CHLORIDEBenzenesulfonyl chloride, 5-bromo-2-fluoro-4-methyl-
Database identifiers
- CAS
874801-49-7- PubChem CID
- 44890841
- DTXSID
DTXSID60661353
Properties
Computed structural properties
- XLogP
- 3.1
- 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
- 277
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Danger
- Hazard statements
- 315 · H315-H319-H335-H336-H225
- Precautionary statements
- 501 · P501-P261-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P304+P340+P312-P403+P233-P403+P235-P405
- RIDADR
- 3261 · UN3261
- HazardClass
- 8 · 8
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
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
- ridadr
- UN3261
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS02
- hazard_class
- 8
- Hazard statements
- H315-H319-H335-H336-H225
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P501-P261-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P304+P340+P312-P403+P233-P403+P235-P405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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