4-((Furan-2-ylmethyl)thio)-3-nitrobenzaldehyde

Base Information

• Chemical Name: 4-((Furan-2-ylmethyl)thio)-3-nitrobenzaldehyde
• CAS No.: 175278-53-2
• Molecular Formula: C12H9NO4S
• Molecular Weight: 263.27
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID00384296
• Wikidata: Q82176322
• Mol file: 175278-53-2.mol

Synonyms:175278-53-2;4-((Furan-2-ylmethyl)thio)-3-nitrobenzaldehyde;4-[(2-Furylmethyl)sulfanyl]-3-nitrobenzenecarbaldehyde;4-(furan-2-ylmethylsulfanyl)-3-nitrobenzaldehyde;4-[(2-furylmethyl)thio]-3-nitrobenzaldehyde;4-(Fur-2-ylmethylthio)-3-nitrobenzaldehyde;4-{[(Furan-2-yl)methyl]sulfanyl}-3-nitrobenzaldehyde;4-[(Fur-2-ylmethyl)thio]-3-nitrobenzaldehyde;Benzaldehyde,4-[(2-furanylmethyl)thio]-3-nitro-;4-[(furan-2-ylmethyl)sulfanyl]-3-nitrobenzaldehyde;DTXSID00384296;JS-166C;MFCD00173717;AKOS005072999;SB61633;4-(2-furanylmethylthio)-3-nitrobenzaldehyde;CS-0336801;FT-0617306;4-(furan-2-ylmethylthio)-3-nitrobenzaldehyde;4-(2-furylmethylsulfanyl)-3-nitro-benzaldehyde;A812064;J-513184

Chemical Property of 4-((Furan-2-ylmethyl)thio)-3-nitrobenzaldehyde

Chemical Property:

• Vapor Pressure: 4.83E-07mmHg at 25°C
• Melting Point: 153-154°C
• Refractive Index: 1.638
• Boiling Point: 413.4 °C at 760 mmHg
• Flash Point: 203.8 °C
• PSA: 101.33000
• Density: 1.4 g/cm³
• LogP: 3.81580
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 263.02522894
• Heavy Atom Count: 18
• Complexity: 307

Purity/Quality:

97% ^*data from raw suppliers

4-[(2-Furylmethyl)sulfanyl]-3-nitrobenzenecarbaldehyde >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=COC(=C1)CSC2=C(C=C(C=C2)C=O)[N+](=O)[O-]