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121-19-7

121-19-7 structural image
Product Name: Roxarsone
Formula: C6H6AsNO6
Synonyms: 2-Nitrophenol-4-arsonic acid;4-Hydroxy-3-nitrobenzenearsonic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 4-hydroxy-3-nitrophenyl arsonic acid appears as pale yellow crystals or light tan powder. (NTP, 1992)
Color/Form Tufts of pale-yellow needles or rhombohedral plates from water
Melting Point greater than 572 °F (NTP, 1992)
Solubility less than 1 mg/mL at 73 °F (NTP, 1992)
Decomposition When heated to decomposition it emits very toxic fumes of /nitrogen oxides & arsenic/.
Collision Cross Section 145.5 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Other Experimental Properties Puffs up and deflagrates on heating
Chemical Classes Metals -> Arsenic Compounds, Organic

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Environment
GHS09
GHS Hazard Statements H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P273:Avoid release to the environment.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

COMPUTED DESCRIPTORS

Molecular Weight 263.04 g/mol
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 1
Exact Mass 262.941106 g/mol
Monoisotopic Mass 262.941106 g/mol
Topological Polar Surface Area 124 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 270
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

PRODUCT INTRODUCTION

description

4-hydroxy-3-nitrophenyl arsonic acid appears as pale yellow crystals or light tan powder. (NTP, 1992)