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98-47-5

98-47-5 structural image
Product Name: 3-NITROBENZENESULFONIC ACID
Formula: C6H5NO5S
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Crystalline powder; [TCI America MSDS]
Ionization Efficiency Negative
Chemical Classes Nitrogen Compounds -> Nitrobenzesulfonic Acids

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05
GHS Hazard Statements H314:Skin corrosion/irritation
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

COMPUTED DESCRIPTORS

Molecular Weight 203.17 g/mol
XLogP3 0
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Exact Mass 202.98884343 g/mol
Monoisotopic Mass 202.98884343 g/mol
Topological Polar Surface Area 109 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 287
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes