Nitarsone

C₆H₆AsNO₅CAS 98-72-6247.04 g/mol

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Properties

Molecular formula: C₆H₆AsNO₅
Molar mass: 247.04 g/mol
Exact mass: 246.9462 Da
Melting point: above 310 °C (decomposes)
logP: -0.84Crippen estimate
Polar surface area: 100.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H331 Toxic if inhaled100% of notifiers
H400 Very toxic to aquatic life100% of notifiers
H410 Very toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 41 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

98-72-6

SMILES

O=[N+]([O-])c1ccc([As](=O)(O)O)cc1

InChIKey

FUUFQLXAIUOWML-UHFFFAOYSA-N

InChI

InChI=1S/C6H6AsNO5/c9-7(10,11)5-1-3-6(4-2-5)8(12)13/h1-4H,(H2,9,10,11)

Weigh it out

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

Names and synonyms

14 names · show all

Arsonic acid, As-(4-nitrophenyl)-
Benzenearsonic acid, p-nitro-
Arsonic acid, (4-nitrophenyl)-
As-(4-Nitrophenyl)arsonic acid
p-Nitrobenzenearsonic acid
(4-Nitrophenyl)arsonic acid
4-Nitrobenzenearsonic acid
(p-Nitrophenyl)arsonic acid
Histostat 50
Hep-a-stat
Histostat
Nitarson
NSC 5085
p-Nitrophenyl arsenic acid

Reactions

p-NITROPHENYLARSONIC ACID (Benzenearsonic acid, p-nitro-)product

Work with Nitarsone

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

1,4-Dinitrobenzene100-25-458 % similar Roxarsone121-19-757 % similar 4,4'-Dinitro-1,1'-biphenyl1528-74-152 % similar 4-Nitrophenol100-02-752 % similar 4-Nitrobenzenethiol1849-36-152 % similar 1,2-Bis(4-nitrophenyl)ethane736-30-148 % similar 4-Nitrophenylboronic acid24067-17-247 % similar 4-Hydroxy-4'-nitrobiphenyl3916-44-747 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

As-(2-Nitrophenyl)arsonic acid5410-29-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia