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| CAS No.: | 98-05-5 |
|---|---|
| Name: | PHENYLARSONIC ACID |
| Molecular Structure: | |
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|
|
| Formula: | C6H7 As O3 |
| Molecular Weight: | 202.041 |
| Synonyms: | Arsonicacid, phenyl- (9CI); Benzenearsonic acid (6CI,8CI); Monophenylarsonic acid; NSC15566; Phenylarsonic acid |
| Density: | g/cm3 |
| Melting Point: | 160 °C |
| Boiling Point: | 438.2°Cat760mmHg |
| Flash Point: | 232.9°C |
| Solubility: | 31.6g/L(28 oC) |
| Appearance: | white to slightly yellow crystalline powder |
| Hazard Symbols: | Toxic by ingestion. |
| Risk Codes: | 50/53-23/25 |
| Safety: | A deadly poison by ingestion and intravenous routes. See also ARSENIC COMPOUNDS. When heated to decomposition it emits toxic fumes of As. |
| PSA: | 57.53000 |
| LogP: | -0.75240 |
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Chemistry
Product Name: Benzenearsonic acid (CAS NO.98-05-5)
Molecular Formula: C6H7AsO3
Molecular Weight: 202.04g/mol
Mol File: 98-05-5.mol
Einecs: 202-631-9
Appearance: Colourless solid
Melting Point: 154–158 °C
Boiling point: 438.2 °C at 760 mmHg
Storage Temperature:
Flash Point: 232.9 °C
Density: 1,76 g/cm3
Enthalpy of Vaporization: 73.25 kJ/mol
Vapour Pressure: 1.88E-08 mmHg at 25°C
H-Bond Donor: 2
H-Bond Acceptor: 3
Structure Descriptors of Benzenearsonic acid (CAS NO.98-05-5):
IUPAC Name: phenylarsonic acid
Canonical SMILES: C1=CC=C(C=C1)[As](=O)(O)O
InChI: InChI=1S/C6H7AsO3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H,(H2,8,9,10)
InChIKey: LVKZSFMYNWRPJX-UHFFFAOYSA-N
Product Categories: Organometallics; As (Arsenic) Compounds; Classes of Metal Compounds; Semimetal Compounds
Uses
Several derivatives of Benzenearsonic acid (CAS NO.98-05-5) have been used as additives for animal feeds. These include 4-hydroxy-3-nitrobenzenearsonic acid (3-NHPAA, or Roxarsone), p-arsanilic acid (p-ASA), 4-nitrophenylarsonic acid (4-NPAA), and p-ureidophenylarsonic acid (p-UPAA).
Production
PhAsO3H2 can be prepared in several routes, but a common one entails treatment of phenyl diazonium salts with sodium arsenite (prepared from arsenious acid and base) in the presence of a copper(II) catalyst.
C6H5N2+ + NaAsO3H2 → C6H5AsO3H2 + Na+ + N2
Related derivatives are prepared similarly. It was first prepared by Michaelis and Loenser.X-ray crystallography indicates that the molecules are connected by hydrogen-bonds consistent with short distance of 2.5 Å separating the oxygen atoms. The arsenic center is tetrahedral.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 270ug/kg (0.27mg/kg) | Compilation of LD50 Values of New Drugs. | |
| rabbit | LD50 | intravenous | 16mg/kg (16mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 93, 1944. | |
| rat | LDLo | oral | 50mg/kg (50mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 287, 1948. |
Consensus Reports
Reported in EPA TSCA Inventory. EPA Extremely Hazardous Substances List. Arsenic and its compounds are on the Community Right-To-Know List.
Safety Profile
A deadly poison by ingestion and intravenous routes. See also ARSENIC COMPOUNDS. When heated to decomposition it emits toxic fumes of As.
Safety Information of Benzenearsonic acid (CAS NO.98-05-5):
Hazard Codes: N
-T
Risk Statements: 50/53-23/25
23: Toxic by inhalation
25: Toxic if swallowed
50: Very Toxic to aquatic organisms
53: May cause long-term adverse effects in the aquatic environment
Safety Statements: 61-60-45-28A-20/21
21: When using, do not smoke
22: Do not breathe dust
28: After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer)
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
60: This material and/or its container must be disposed of as hazardous waste
61: Avoid release to the environment. Refer to special instructions safety data sheet
Standards and Recommendations
OSHA PEL: TWA 0.5 mg/(As)m3
ACGIH TLV: BEI: 35 μ (As)/L inorganic arsenic and methylated metabolites in urine
Specification
Benzenearsonic acid ,its CAS NO. is 98-05-5,the synonyms is Arsonic acid, phenyl- ; BRN 2935741 ; EINECS 202-631-9 ; HSDB 6381 ; Kyselina benzenarsonova ; Monophenylarsonic acid ; NSC 15566 ; Phenylarsonic acid .