4-((Furan-2-ylmethyl)thio)-3-nitrobenzaldehyde
Basic information
- CAS
175278-53-2- Standard SMILES
O=Cc1ccc(SCc2ccco2)c([N+](=O)[O-])c1- InChIKey
XJZUTZDAIMVSAR-UHFFFAOYSA-N- Molecular formula
- C12H9NO4S
- Average molar mass
- 263.27 g/mol
- Monoisotopic mass
- 263.02522894
Names & identifiers
- Preferred name
- 4-((Furan-2-ylmethyl)thio)-3-nitrobenzaldehyde
- IUPAC
- 4-(furan-2-ylmethylsulfanyl)-3-nitrobenzaldehyde
- English name
- 4-[(2-FURYLMETHYL)THIO]-3-NITROBENZALDEHYDE
- Molecular formula
- C12H9NO4S
- Molecular weight
- 263.27
Names & synonyms
175278-53-24-((Furan-2-ylmethyl)thio)-3-nitrobenzaldehyde4-[(2-Furylmethyl)sulfanyl]-3-nitrobenzenecarbaldehyde4-(furan-2-ylmethylsulfanyl)-3-nitrobenzaldehydeMFCD001737174-(2-furanylmethylthio)-3-nitrobenzaldehyde4-{[(Furan-2-yl)methyl]sulfanyl}-3-nitrobenzaldehyde4-[(2-furylmethyl)thio]-3-nitrobenzaldehydeBenzaldehyde, 4-[(2-furanylmethyl)thio]-3-nitro-DTXSID00384296JS-166CSBB102650
Show more names
4-[(Fur-2-ylmethyl)thio]-3-nitrobenzaldehyde
AKOS005072999SB616334-(2-furylmethylthio)-3-nitrobenzaldehydeCS-03368014-(2-furylmethylsulfanyl)-3-nitro-benzaldehydeF7333544-[(2-furylmethyl)sulfanyl]-3-nitrobenzene carbaldehyde
Database identifiers
- CAS
175278-53-2- PubChem CID
- 2801634
- DTXSID
DTXSID00384296
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- Melting point
- 153 · 153-154°C
- Boiling point
- 413.4 · 413.4±45.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- CAS DataBase Reference
- 175278 · 175278-53-2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Compound notes
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