4-(Benzylthio)-3-nitrobenzaldehyde

Base Information

• Chemical Name: 4-(Benzylthio)-3-nitrobenzaldehyde
• CAS No.: 175278-44-1
• Molecular Formula: C14H11NO3S
• Molecular Weight: 273.31
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID30384289
• Wikidata: Q82176309
• Mol file: 175278-44-1.mol

Synonyms:4-(Benzylthio)-3-nitrobenzaldehyde;175278-44-1;4-(Benzylsulfanyl)-3-nitrobenzenecarbaldehyde;4-benzylsulfanyl-3-nitrobenzaldehyde;4-Benzylthio-3-nitrobenzaldehyde;4-(benzylsulfanyl)-3-nitrobenzaldehyde;Benzaldehyde,3-nitro-4-[(phenylmethyl)thio]-;SCHEMBL13220796;DTXSID30384289;JS-090C;MFCD00173710;AKOS005072984;CS-0328505;FT-0616700;A812061;J-513652

Chemical Property of 4-(Benzylthio)-3-nitrobenzaldehyde

Chemical Property:

• Vapor Pressure: 1.07E-07mmHg at 25°C
• Melting Point: 170-172 °C
• Refractive Index: 1.651
• Boiling Point: 432.9 °C at 760 mmHg
• Flash Point: 215.6 °C
• PSA: 88.19000
• Density: 1.32 g/cm³
• LogP: 4.22280
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 273.04596439
• Heavy Atom Count: 19
• Complexity: 312

Purity/Quality:

97% ^*data from raw suppliers

4-(Benzylthio)-3-nitrobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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