Basic information
- CAS
1643-97-6- Standard SMILES
Cc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1- InChIKey
PSDMTXMSQAGPPB-UHFFFAOYSA-N- Molecular formula
- C13H11FO2S
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.04637893
Names & identifiers
- Preferred name
- 1-Fluoro-4-((4-methylphenyl)sulphonyl)benzene
- IUPAC
- 1-(4-fluorophenyl)sulfonyl-4-methylbenzene
- English name
- 1-fluoro-4-[(4-methylphenyl)sulphonyl]benzene
- Molecular formula
- C13H11FO2S
- Molecular weight
- 250.29
Names & synonyms
1643-97-61-fluoro-4-[(4-methylphenyl)sulphonyl]benzene1-Fluoro-4-((4-methylphenyl)sulphonyl)benzeneEINECS 216-702-7DTXSID401677421-FLUORO-4-[(4-METHYLPHENYL)SULFONYL]BENZENENSC 1410201-Fluoro-4-((4-methylphenyl)sulfonyl)benzeneRefChem:432816DTXCID2090233216-702-7p-Fluorophenyl-p-tolylsulfone
Show more names
p-Tolyl 4-fluorophenyl sulfone4-Fluorophenyl p-tolyl sulfone(4-Methylphenyl)(4-fluorophenyl) sulfone1-Fluoro-4-[(4-methylbenzene)sulfonyl]benzene
1-Fluoro-4-tosylbenzene1-(4-fluorophenyl)sulfonyl-4-methylbenzeneSulfone, p-fluorophenyl p-tolylBenzene, 1-fluoro-4-[(4-methylphenyl)sulfonyl]-p-Fluorophenyl p-tolyl sulfone6SZ48W3VEHNSC-141020NSC141020
Database identifiers
- CAS
1643-97-6- PubChem CID
- 74237
- DTXSID
DTXSID40167742- UNII
- 6SZ48W3VEH
- EC Number
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Melting point
- 94.5 °C · 94.5 °C(Solv: methanol (67-56-1))
- Boiling point
- 382.8 · 382.8±35.0 °C(Predicted)
- Density
- 1.262 · 1.262±0.06 g/cm3(Predicted)
- FDA UNII
- 6 SZ48W3VEH · 6SZ48W3VEH
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H315-H318
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H315-H318
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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