Basic information
- CAS
30827-98-6- Standard SMILES
CC(=O)NCCc1ccc(S(=O)(=O)F)cc1- InChIKey
KIRUPWKQWOQBCT-UHFFFAOYSA-N- Molecular formula
- C10H12FNO3S
- Average molar mass
- 245.27 g/mol
- Monoisotopic mass
- 245.05219258
Names & identifiers
- Preferred name
- Benzenesulfonylfluoride, 4-[2-(acetylamino)ethyl]-
- IUPAC
- 4-(2-acetamidoethyl)benzenesulfonyl fluoride
- English name
- Benzenesulfonylfluoride, 4-[2-(acetylamino)ethyl]-
- Molecular formula
- C10H12FNO3S
- Molecular weight
- 245.27
Names & synonyms
30827-98-64-(2-Acetamidoethyl)benzene-1-sulfonyl fluorideBenzenesulfonylfluoride, 4-[2-(acetylamino)ethyl]-4-(2-acetamidoethyl)benzenesulfonyl fluorideBenzenesulfonyl fluoride, 4-[2-(acetylamino)ethyl]-NSC210250starbld0019483DTXSID50308846NSC-210250DS-010338EN300-132975Z1649371884
Show more names
p-(2-acetamidoethyl)benzenesulphonyl fluoride
Database identifiers
- CAS
30827-98-6- PubChem CID
- 308451
- DTXSID
DTXSID50308846
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- Boiling point
- 428.5 · 428.5±38.0 °C(Predicted)
- Density
- 1.277 · 1.277±0.06 g/cm3(Predicted)
- pka
- 15.96 · 15.96±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
南京世洲生物科技有限公司13675144456 · [email protected]
合肥瑞科昇生物科技有限公司0551-66336380 18956014586 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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