3-Amino-4-hydroxy-5-nitrobenzene-1-sulfonic acid hydrate

Base Information

• Chemical Name: 3-Amino-4-hydroxy-5-nitrobenzene-1-sulfonic acid hydrate
• CAS No.: 175278-60-1
• Molecular Formula: C6H6 N2 O6 S . H2 O
• Molecular Weight: 252.2
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID80420808
• Mol file: 175278-60-1.mol

Synonyms:175278-60-1;3-Amino-4-hydroxy-5-nitrobenzene-1-sulfonic acid hydrate;3-amino-4-hydroxy-5-nitrobenzenesulfonic acid hydrate;3-amino-4-hydroxy-5-nitrobenzenesulfonic acid;hydrate;SCHEMBL4800321;DTXSID80420808;HJASIPICABEOAV-UHFFFAOYSA-N;MFCD00277203;FT-0614973;3-amino-4-hydroxy-5-nitrobenzenesulfonicacidhydrate;Benzenesulfonic acid,3-amino-4-hydroxy-5-nitro-,hydrate(1:1);3-Amino-4-hydroxy-5-nitrobenzene-1-sulfonic acid--water (1/1);Benzenesulfonic acid, 3-amino-4-hydroxy-5-nitro-, hydrate (1:1)

Chemical Property of 3-Amino-4-hydroxy-5-nitrobenzene-1-sulfonic acid hydrate

Chemical Property:

• Vapor Pressure: 5.48E-15mmHg at 25°C
• Melting Point: 299-301°C (dec.)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 164.05000
• Density: g/cm³
• LogP: 2.25020
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 252.00522177
• Heavy Atom Count: 16
• Complexity: 344

Purity/Quality:

98%Min ^*data from raw suppliers

3-Amino-4-hydroxy-5-nitrobenzene-1-sulfonic acid hydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:
• Hazard Codes: R36/37/38:
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1N)O)[N+](=O)[O-])S(=O)(=O)O.O