Arsanilic acid

C₆H₈AsNO₃CAS 98-50-0217.06 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₈AsNO₃
Molar mass: 217.06 g/mol
Exact mass: 216.9720 Da
Density: 1.9571 g/mL (at 10 °C)
Melting point: 232 °C
logP: -1.17Crippen estimate
Polar surface area: 83.5 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed97.8% of notifiers
H331 Toxic if inhaled97.8% of notifiers
H400 Very toxic to aquatic life88.9% of notifiers
H410 Very toxic to aquatic life with long lasting effects97.8% of notifiers

Aggregated from 45 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

98-50-0

SMILES

Nc1ccc([As](=O)(O)O)cc1

InChIKey

XKNKHVGWJDPIRJ-UHFFFAOYSA-N

InChI

InChI=1S/C6H8AsNO3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H,8H2,(H2,9,10,11)

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

Names and synonyms

20 names · show all

Pro-gen 227 Premix
p-Arsanilic acid
4-Aminobenzenearsonic acid
(p-Aminophenyl)arsonic acid
4-Arsanilic acid
AS 101
Pro-gen
4-Arsonoaniline
Pro-gen 90
Arsonic acid, As-(4-aminophenyl)-
Arsonic acid, (4-aminophenyl)-
As-(4-Aminophenyl)arsonic acid
p-Aminobenzenearsonic acid
Aminophenylarsine acid
p-Anilinearsonic acid
Atoxylic acid
Arsanilic acid 100
4-Aminophenylarsonic acid
p-Arsonoaniline
NSC 2023

Reactions

Arsanilic acidproduct

Work with Arsanilic acid

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Sodium p-aminophenylarsonate127-85-5Salt

Similar compounds

Phenylarsonic acid98-05-556 % similar Nitarsone98-72-647 % similar P-Phenylenediamine106-50-343 % similar 1,4-Benzenediamine sulfate16245-77-539 % similar 4-Aminothiophenol1193-02-838 % similar 4-Aminophenol123-30-838 % similar 4,4''-Diaminoterphenyl3365-85-338 % similar 1,4-Diaminobenzene dihydrochloride624-18-038 % similar

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

Same formula

2-Aminophenylarsonic acid2045-00-3

Elsewhere

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