5-Bromothiophene-2-sulfonyl fluoride
Basic information
- CAS
108158-00-5- Standard SMILES
O=S(=O)(F)c1ccc(Br)s1- InChIKey
YZLKSNCDWSSCNL-UHFFFAOYSA-N- Molecular formula
- C4H2BrFO2S2
- Average molar mass
- 245.1 g/mol
- Monoisotopic mass
- 243.86636
Names & identifiers
- Preferred name
- 5-Bromothiophene-2-sulfonyl fluoride
- IUPAC
- 5-bromothiophene-2-sulfonyl fluoride
- English name
- 5-bromothiophene-2-sulfonyl fluoride
- Molecular formula
- C4H2BrFO2S2
- Molecular weight
- 245.0898832
Names & synonyms
5-bromothiophene-2-sulfonyl fluoride108158-00-5RefChem:534137808-332-5MFCD21894405C4H2BrFO2S25-bromothiophene-2-sulfonylfluorideAKOS022552158MS-20769E84454EN300-2244325-Bromo-2-thiophenesulfonyl fluoride, 95% (GC)
Show more names
5-Bromo-2-thiophenesulfonyl fluoride5-Bromo-2-thiophenesulfonyl fluoride 95% (GC)
Database identifiers
- CAS
108158-00-5- PubChem CID
- 82294545
- EC Number
- 808-332-5
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Density
- 1.8803 at · 1.8803 at 25 °C
- refractive index
- 1.557 · n/D 1.5570
- form
- liquid
- InChI
- 1S/C4H2BrFO2S2/c5-3-1-2-4(9-3)10(6,7)8/h1-2H
- InChIKey
- YZLKSNCDWSSCNL-UHFFFAOYSA-N
- SMILES
- O=S(C1=CC=C(Br)S1)(F)=O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
- WGK Germany
- 3 · WGK 3
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 B · Skin Corr. 1B
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 (97.5%): 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 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (97.5%)
Safety data
- wgk
- WGK 3
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H314
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
Chemistry & industry
Applications
UsesSulfonyl fluoride motif can be used as a connector for the assembly of -SO2- linked small molecules with proteins or nucleic acids. This new click chemistry approach through sulfates is a complimentary approach to using amides and phosphate groups as linkers.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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