Roxarsone

C₆H₆AsNO₆CAS 121-19-7263.04 g/mol

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Properties

Molecular formula: C₆H₆AsNO₆
Molar mass: 263.04 g/mol
Exact mass: 262.9411 Da
Density: 2.02 g/mL
Melting point: 300 °C
Water solubility: < 1 g/L (22.8 °C)
logP: -1.14Crippen estimate
Polar surface area: 120.9 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed44.1% of notifiers
H331 Toxic if inhaled44.1% of notifiers
H400 Very toxic to aquatic life44.1% of notifiers
H410 Very toxic to aquatic life with long lasting effects44.1% of notifiers

Aggregated from 93 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P273, P301+P316, P304+P340, P316, P321, P330, P391, P403+P233, P405, P501

Identifiers

CAS number

121-19-7

SMILES

O=[N+]([O-])c1cc([As](=O)(O)O)ccc1O

InChIKey

XMVJITFPVVRMHC-UHFFFAOYSA-N

InChI

InChI=1S/C6H6AsNO6/c9-6-2-1-4(7(10,11)12)3-5(6)8(13)14/h1-3,9H,(H2,10,11,12)

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Type any one amount. The others follow from the molar mass and density.

Names and synonyms

19 names · show all

Arsonic acid, As-(4-hydroxy-3-nitrophenyl)-
Benzenearsonic acid, 4-hydroxy-3-nitro-
Arsonic acid, (4-hydroxy-3-nitrophenyl)-
As-(4-Hydroxy-3-nitrophenyl)arsonic acid
Aklomix-3
4-Hydroxy-3-nitrobenzenearsonic acid
4-Hydroxy-3-nitrophenylarsonic acid
2-Nitro-1-hydroxybenzene-4-arsonic acid
3-Nitro-4-hydroxybenzenearsonic acid
3-Nitro-4-hydroxyphenylarsonic acid
Ristat
Ren-O-sal
3-Nitro-10
3-Nitro-20
3-Nitro-50
3-Nitro-80
3-Nitro
p-Hydroxy-m-nitrophenylarsonic acid
NSC 2101

Work with Roxarsone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4-Dinitrophenol51-28-557 % similar Nitarsone98-72-657 % similar 4-Fluoro-2-nitrophenol394-33-255 % similar 4-Methyl-2-nitrophenol119-33-554 % similar 4-Amino-2-nitrophenol119-34-654 % similar 4-Bromo-2-nitrophenol7693-52-954 % similar 4-Chloro-2-nitrophenol89-64-554 % similar 4,6-Dinitroresorcinol616-74-051 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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