5-[(4-Chlorophenyl)sulfanyl]-2-furaldehyde
Basic information
- CAS
39689-04-8- Standard SMILES
O=Cc1ccc(Sc2ccc(Cl)cc2)o1- InChIKey
HVUPEZXYRPDLNI-UHFFFAOYSA-N- Molecular formula
- C11H7ClO2S
- Average molar mass
- 238.69 g/mol
- Monoisotopic mass
- 237.9855283
Names & identifiers
- Preferred name
- 5-[(4-Chlorophenyl)sulfanyl]-2-furaldehyde
- IUPAC
- 5-(4-chlorophenyl)sulfanylfuran-2-carbaldehyde
- English name
- 5-[(4-CHLOROPHENYL)SULFANYL]-2-FURALDEHYDE
- Molecular formula
- C11H7ClO2S
- Molecular weight
- 238.69
Names & synonyms
39689-04-85-[(4-chlorophenyl)sulfanyl]-2-furaldehyde5-((4-Chlorophenyl)thio)furan-2-carbaldehyde5-(4-chlorophenyl)sulfanylfuran-2-carbaldehyde5-[(4-chlorophenyl)thio]-2-furaldehyde5-[(4-chlorophenyl)sulfanyl]furan-2-carbaldehydeMFCD006672555-(4-chlorophenylthio)furan-2-carbaldehydeSCHEMBL28940138DTXSID70391856SBB077752STL225134
Show more names
CHEMBRDG-BB 66256355-(4-CHLORO-PHENYLSULFANYL)-FURAN-2-CARBALDEHYDE2-Furancarboxaldehyde, 5-[(4-chlorophenyl)thio]-5-[(4-chlorophenyl)thio]-2-furaldehyde(SALTDATA: FREE)
AKOS000113630SB61867DB-029043CS-0118081ST45236839ST505592402Z-0715F315097
Database identifiers
- CAS
39689-04-8- PubChem CID
- 3366892
- DTXSID
DTXSID70391856- EC Number
- 148-703-2
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 55.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Melting point
- 60 · 60-62°
- Boiling point
- 401.3 · 401.3±40.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- HazardClass
- IRRITANT
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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