Basic information
- CAS
845617-59-6- Standard SMILES
CCS(=O)(=O)c1ccc(F)c(F)c1- InChIKey
YSKPJNBCDJOHGJ-UHFFFAOYSA-N- Molecular formula
- C8H8F2O2S
- Average molar mass
- 206.21 g/mol
Names & identifiers
- Preferred name
- 1,2-Difluoro-4-ethylsulfonylbenzene
- IUPAC
- 4-ethylsulfonyl-1,2-difluorobenzene
- English name
- 1,2-Difluoro-4-ethylsulfonylbenzene
- Molecular formula
- C8H8F2O2S
- Molecular weight
- 206.21
Names & synonyms
845617-59-61,2-Difluoro-4-ethylsulfonylbenzene4-(ethylsulfonyl)-1,2-difluorobenzene1,2-difluoro-4-(ethylsulphonyl)benzene3,4-Difluorophenyl ethyl sulphone4-ethylsulfonyl-1,2-difluorobenzeneMFCD090277194-Ethanesulfonyl-1,2-difluoro-benzene3,4-difluorophenyl ethyl sulfone1,2-difluoro-4-(ethylsulfonyl)benzeneSCHEMBL806970YSKPJNBCDJOHGJ-UHFFFAOYSA-N
Show more names
Benzene, 4-(ethylsulfonyl)-1,2-difluoro-
SBB0936514-ethylsulfonyl-1,2-difluoro-benzeneAKOS008650070DB-345489CS-0299629H68464A1-04183Z432607470
Database identifiers
- CAS
845617-59-6
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Melting point
- 58 · 58-60°C
- Boiling point
- 313.6 · 313.6±42.0 °C(Predicted)
- Density
- 1.32 · 1.320±0.06 g/cm3(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2930909899 · 2930909899
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
- 2930909899
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers3 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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