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Chemical substance record

Roxarsone

121-19-7C6H6AsNO6263.037 g/mol
Organic/Inorganic Small MoleculeChEBI source record

An organoarsonic acid where the organyl group is 4-hydroxy-3-nitrophenyl. — ChEBI

Safety references

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Identity & molecular properties

Source-linked values
CAS number121-19-7ChEBI ↗
Molecular formulaC6H6AsNO6ChEBI ↗
Molar mass263.037 g/molChEBI ↗
Monoisotopic mass262.94111 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:35817ChEBI ↗

Cross-source molecular data

PubChem
Molar mass263.04 g/molPubChem ↗
Exact mass262.941106 DaPubChem ↗
Topological polar surface area (Ų)124PubChem ↗
H-bond donors3PubChem ↗
H-bond acceptors6PubChem ↗
Rotatable bonds1PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

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roxarsone
(4-hydroxy-3-nitrophenyl)arsonic acid
XMVJITFPVVRMHC-UHFFFAOYSA-N
O=[N+]([O-])c1cc([As](=O)(O)O)ccc1O
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)

Names & synonyms

(4-hydroxy-3-nitrophenyl)arsonic acid3-NitroRen-O-Salroxarsonroxarsonum

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology
organoarsonic acidChEBI parent class · 22638 ↗2-nitrophenolsChEBI parent class · 86421 ↗
phenolsorganic molecular entity

Roles recorded in ChEBI

agrochemicalcoccidiostatantibacterial druganimal growth promotant

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass
Equivalent amount
0.00380175 mol

Uses 263.037 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions
O
Oxygen · 6 atoms
36.49%
As
Arsenic · 1 atom
28.48%
C
Carbon · 6 atoms
27.40%
N
Nitrogen · 1 atom
5.33%
H
Hydrogen · 6 atoms
2.30%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations
NTP Toxicology and Carcinogenesis Studies of Roxarsone (CAS No. 121-19-7) in F344/N Rats and B6C3F1 Mice (Feed Studies). ↗National Toxicology Program technical report series · 1989 Mar · PMID 12724787
Environmental fate of roxarsone in poultry litter. I. Degradation of roxarsone during composting. ↗Environmental science & technology · 2003 Apr 15 · PMID 12731831
DE224953 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.
GB226255 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.
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Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:35817

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

NCBI PubChem · CID 5104 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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