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Basic Information
CAS No.: 5410-29-7
Name: 2-NITROPHENYLARSONIC ACID
Article Data: 10
Molecular Structure:
Molecular Structure of 5410-29-7 (2-NITROPHENYLARSONIC ACID)
Formula: C6H6 As N O5
Molecular Weight: 247.039
Synonyms: Arsonicacid, (2-nitrophenyl)- (9CI); Benzenearsonic acid, o-nitro- (6CI,7CI,8CI);(o-Nitrophenyl)arsonic acid; 2-Nitrobenzenearsonic acid; 2-Nitrophenylarsonicacid; NSC 12609; o-Nitrobenzenearsonic acid
Density: g/cm3
Melting Point: 225 °C
Boiling Point: 542.2°Cat760mmHg
Flash Point: 243.9°C
Appearance: Beige-yellowish powder
Hazard Symbols: R23/25:Toxic by inhalation and if swallowed.; R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects
Risk Codes: R23/25;R50/53;
Safety: Poison by ingestion. When heated to decomposition it emits very toxic fumes of NOx and As. See also ARSENIC COMPOUNDS and NITRO COMPOUNDS of AROMATIC HYDROCARBONS.
PSA: 103.35000
LogP: -0.32100
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Chemistry

Molecule structure of 2-Nitrobenzenearsonic acid (CAS NO.5410-29-7):

IUPAC Name: (2-Nitrophenyl)arsonic acid 
Molecular Weight: 247.03714 g/mol
Molecular Formula: C6H6AsNO5 
Melting Point: 225 °C 
Boiling Point: 542.2 °C at 760 mmHg
Flash Point: 243.9 °C
Enthalpy of Vaporization: 86.32 kJ/mol
Vapour Pressure: 1.38E-12 mmHg at 25 °C 
CAS DataBase Reference: 5410-29-7(CAS DataBase Reference)
H-Bond Donor: 2
H-Bond Acceptor: 5
Rotatable Bond Count: 1
Exact Mass: 246.946194
MonoIsotopic Mass: 246.946194
Topological Polar Surface Area: 101
Heavy Atom Count: 13
Complexity: 244
Canonical SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])[As](=O)(O)O
InChI: InChI=1S/C6H6AsNO5/c9-7(10,11)5-3-1-2-4-6(5)8(12)13/h1-4H,(H2,9,10,11)
InChIKey: UYEDGVZDGVIURN-UHFFFAOYSA-N
EINECS: 226-485-0 
Product Categories: As (Arsenic) Compounds; Classes of Metal Compounds; Semimetal Compounds

Toxicity Data With Reference

1.    

orl-rat LDLo:100 mg/kg

     NCNSA6    National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. 5 (1953),13.

Consensus Reports

Arsenic and its compounds are on the Community Right-To-Know List. Reported in EPA TSCA Inventory.

Safety Profile

Poison by ingestion. When heated to decomposition it emits very toxic fumes of NOx and As. See also ARSENIC COMPOUNDS and NITRO COMPOUNDS of AROMATIC HYDROCARBONS.
Hazard Codes: DangerousN, ToxicT
Risk Statements: 50/53-23/25 
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 
R23/25:Toxic by inhalation and if swallowed.
Safety Statements: 61-60-45-28A-20/21-28 
S61:Avoid release to the environment. Refer to special instructions / safety data sheets. 
S60:This material and its container must be disposed of as hazardous waste. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S28:After contact with skin, wash immediately with plenty of soap-suds. 
S20:When using, do not eat or drink. 
S21:When using do not smoke. 
S28:After contact with skin, wash immediately with plenty of soap-suds.
RIDADR: 1557
RTECS: CY5950000
HazardClass: 6.1(b)
PackingGroup: III

Standards and Recommendations

OSHA PEL: TWA 0.5 mg(As)/m3

Specification

 2-Nitrobenzenearsonic acid (CAS NO.5410-29-7) is also called (o-Nitrophenyl)arsonic acid ; 2-Nitrophenylarsonic acid ; 3-16-00-01059 (Beilstein Handbook Reference) ; Arsonic acid, (2-nitrophenyl)- ; BRN 2939905 ; NSC 12609 ; o-Nitrophenylarsenic acid . 2-Nitrobenzenearsonic acid (CAS NO.5410-29-7) is beige-yellowish powder. 2-Nitrobenzenearsonic acid (CAS NO.5410-29-7) is high toxic. It will produce toxic nitric oxide and arsenide gases by heat. So the storage environment should be ventilate, low-temperature and dry.