3-[2-(4-Chlorophenyl)sulfanyl-5-nitrophenyl]prop-2-enoic acid

Base Information

• Chemical Name: 3-[2-(4-Chlorophenyl)sulfanyl-5-nitrophenyl]prop-2-enoic acid
• CAS No.: 175278-51-0
• Molecular Formula: C15H10 Cl N O4 S
• Molecular Weight: 335.76
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID80384294
• Mol file: 175278-51-0.mol

Synonyms:3-[2-(4-chlorophenyl)sulfanyl-5-nitrophenyl]prop-2-enoic acid;175278-51-0;3-(2-[(4-Chlorophenyl)thio]-5-nitrophenyl)acrylic acid;DTXSID80384294;FT-0614840;(Z)-3-(2-(4-chlorophenylthio)-5-nitrophenyl)acrylic acid

Chemical Property of 3-[2-(4-Chlorophenyl)sulfanyl-5-nitrophenyl]prop-2-enoic acid

Chemical Property:

• Vapor Pressure: 3.9E-12mmHg at 25°C
• Melting Point: 212℃
• Boiling Point: 531.7°Cat760mmHg
• Flash Point: 275.4°C
• PSA: 108.42000
• Density: 1.5g/cm³
• LogP: 5.02040
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 335.0019067
• Heavy Atom Count: 22
• Complexity: 432

Purity/Quality:

98%min ^*data from raw suppliers

3-{2-[(4-Chlorophenyl)thio]-5-nitrophenyl}acrylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xi:Irritant
• 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=CC(=CC=C1SC2=C(C=C(C=C2)[N+](=O)[O-])C=CC(=O)O)Cl