Roxarsone supplier | CasNO.121-19-7

Name
Roxarsone
EINECS 204-453-7
CAS No. 121-19-7
Article Data13
CAS DataBase
Density 2.02 g/cm3
Solubility <0.1 g/100 mL at 23℃
Melting Point ≥300 °C(lit.)
Formula C₆H₆AsNO₆
Boiling Point 537.311 °C at 760 mmHg
Molecular Weight 263.038
Flash Point 240.331 °C
Transport Information UN 3465 6.1/PG 2
Appearance Pale yellow crystals or light tan powder
Safety 20/21-28-45-60-61
Risk Codes 23/25-50/53
Molecular Structure
Hazard Symbols T,N
Synonyms 3-Nitro-4-hydroxyphenylarsonic acid;3-Nitro-50;3-Nitro-80;4-Hydroxy-3-nitrobenzenearsonic acid;Aklomix-3;NSC 2101;Ren-O-sal;Ristat;p-Hydroxy-m-nitrophenylarsonic acid;Arsonicacid, (4-hydroxy-3-nitrophenyl)- (9CI);Benzenearsonic acid, 4-hydroxy-3-nitro-(6CI,7CI,8CI);2-Nitro-1-hydroxybenzene-4-arsonic acid;Roxarsone;
PSA 123.58000
LogP -0.61540

Synthetic route

: 98-14-6
4-hydroxyphenylarsonic acid

: 121-19-7
roxarsone

Conditions

Conditions	Yield
With nitric acid
With sulfuric acid; nitric acid at 0 - 10℃;

: 108-95-2
phenol

: 121-19-7
roxarsone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 2: concentrated sulfuric acid; nitric acid / 0 - 10 °C View Scheme

: 5440-06-2
(4-amino-3-nitro-phenyl)-arsonic acid

: 121-19-7
roxarsone

Conditions

Conditions	Yield
With potassium hydroxide at 80℃;

: 861528-00-9
(4-dimethylamino-3-nitro-phenyl)-arsonic acid

: 121-19-7
roxarsone

Conditions

Conditions	Yield
With sodium hydroxide at 85℃;

: 741258-62-8
(4-anilino-3-nitro-phenyl)-arsonic acid

: 121-19-7
roxarsone

Conditions

Conditions	Yield
With sodium hydroxide

diazotized 2-nitro-4-amino-phenol: diazotized 2-nitro-4-amino-phenol

: 121-19-7
roxarsone

Conditions

Conditions	Yield
With trisodium arsenite in alkal. Loesung;

: 7664-93-9
sulfuric acid

: 98-14-6
4-hydroxyphenylarsonic acid

nitric acid (1 mol): nitric acid (1 mol)

: 121-19-7
roxarsone

Conditions

Conditions	Yield
at 0 - 10℃;

...Expand

: 5430-08-0
(4-chloro-3-nitro-phenyl)-arsonic acid

: 121-19-7
roxarsone

Conditions

Conditions	Yield
With potassium hydroxide

: 5440-04-0
4-chlorobenzenearsonic acid

: 121-19-7
roxarsone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: HNO3+H2SO4 2: KOH-solution View Scheme

: 618-22-4
arsacetin

: 121-19-7
roxarsone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: HNO3+H2SO4 / beim Nitrieren 2: KOH-solution / 80 °C View Scheme

: 91484-30-9
(4-dimethylamino-phenyl)-arsonic acid

: 121-19-7
roxarsone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: glacial acetic acid; nitric acid / 25 °C 2: NaOH-solution / 85 °C View Scheme

: 860602-62-6
(4-bromo-3-nitro-phenyl)-arsonic acid

: 121-19-7
roxarsone

Conditions

Conditions	Yield
durch Einw. von Alkali;

: 873985-38-7
(4-iodo-3-nitro-phenyl)-arsonic acid

: 121-19-7
roxarsone

Conditions

Conditions	Yield
durch Einw. von Alkali;

: 6324-92-1
p-iodophenylarsonic acid

: 121-19-7
roxarsone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: Analog der vorangehenden Verbindung /BRN= 3318376/ 2: durch Einw. von Alkali View Scheme

: 55048-80-1
(4-bromophenyl)arsonic acid

: 121-19-7
roxarsone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: Analog der vorangehenden Verbindung /BRN= 3317611/ 2: durch Einw. von Alkali View Scheme

: 5440-06-2
(4-amino-3-nitro-phenyl)-arsonic acid

KOH-solution: KOH-solution

: 121-19-7
roxarsone

Conditions

Conditions	Yield
at 80℃;

: 861528-00-9
(4-dimethylamino-3-nitro-phenyl)-arsonic acid

: furan-2,3,5(4H)-trione pyridine (1:1)

: 121-19-7
roxarsone

Conditions

Conditions	Yield
at 85℃;

: 5430-08-0
(4-chloro-3-nitro-phenyl)-arsonic acid

KOH-solution: KOH-solution

: 121-19-7
roxarsone

: 860602-62-6
(4-bromo-3-nitro-phenyl)-arsonic acid

alkaline solution: alkaline solution

: 121-19-7
roxarsone

: 873985-38-7
(4-iodo-3-nitro-phenyl)-arsonic acid

NaOH-solution (25 percent ): NaOH-solution (25 percent )

: 121-19-7
roxarsone

: GdCl3*7H2O

: 121-19-7
roxarsone

: [Gd(4-hydroxy-3-nitrophenylarsonic acid-3H)(H2O)2]

Conditions

Conditions	Yield
In water High Pressure; GdCl3*7H2O, arsonic acid in deionized water with pH about 3.4 (1 M NaOH)at 150°C for 5 days; elem. anal.;	89%

: 121-19-7
roxarsone

: 563-63-3
silver(I) acetate

: 75-05-8
acetonitrile

: [Ag3(3-NO2-4-OH-C6H3-AsO3H)(3-NO2-4-OH-C6H3-AsO3)]

Conditions

Conditions	Yield
at 100℃; for 96h; Temperature; Concentration; High pressure; Autoclave;	84%

...Expand

: ammonium heptamolybdate tetrahydrate

: 121-19-7
roxarsone

: 4NH4(1+)*(Mo4O10(HOC6H3(NO2)AsO3)4)(4-)*2H2O=(NH4)4(Mo4O10(HOC6H3(NO2)AsO3)4)*2H2O

Conditions

Conditions	Yield
With ammonium acetate; N2H4H2SO4; acetic acid In water to soln. (NH4)6Mo7O244H2O and AcONH4 in water at room temp. N2H4*H2SO4 was added, 4-hydroxy-3-nitrophenylarsonic was added, stirred for 10 min,pH was adjusted to 3.9 with aq. AcOH, kept for 3 weeks; ppt. was collected and washed with cold water; elem. anal.;	75%

: neodymium(III) chloride hexahydrate

: 121-19-7
roxarsone

: 62-76-0
sodium oxalate

: [Nd2(4-hydroxy-3-nitrophenylarsonic acid-2H)2(oxalato)(H2O)2]

Conditions

Conditions	Yield
With NaOH In water High Pressure; NbCl3*6H2O was added to a soln. of arsonic acid in water (pH 3.0, 1 M NaOH), stirring for a few min, Na2C2O4 was added, heated in autoclave at 170°C for 4 days, slowly cooled to room temp.; elem. anal.;	75%

...Expand

: 121-19-7
roxarsone

: 563-63-3
silver(I) acetate

: 75-05-8
acetonitrile

: [Ag2(3-NO2-4-OH-C6H3-AsO3)]

Conditions

Conditions	Yield
at 100℃; for 96h; High pressure; Autoclave;	73%

...Expand

: samarium(III) chloride hexahydrate

: 121-19-7
roxarsone

: 62-76-0
sodium oxalate

: [Sm2(4-hydroxy-3-nitrophenylarsonic acid-2H)2(oxalato)(H2O)2]

Conditions

Conditions	Yield
With NaOH In water High Pressure; SmCl3*6H2O was added to a soln. of arsonic acid in water (pH 3.0, 1 M NaOH), stirring for a few min, Na2C2O4 was added, heated in autoclave at 170°C for 4 days, slowly cooled to room temp.; elem. anal.;	71%

...Expand

: 1218909-09-1
tetra-n-butyldi-n-propoxydistannoxane

: 121-19-7
roxarsone

: [n-Bu2Sn(4-OH-3-NO2-C6H3AsO3)]n

Conditions

Conditions	Yield
In methanol; chloroform mixt. of tin complex and arsonic acid was stirred in CHCl3/MeOH (1:3, v/v)for 6 h; filtered, concd. by slow evapn. for 1 week, elem. anal.;	11%

: 121-19-7
roxarsone

: 1600-27-7
mercury(II) diacetate

: 5-arsono-2-hydroxy-3-nitro-phenylmercury (1+); acetate

Conditions

Conditions	Yield
With sodium hydroxide

: 121-19-7
roxarsone

: 21784-73-6
4-iodo-2-nitrophenol

Conditions

Conditions	Yield
With sulfuric acid; potassium iodide

: 121-19-7
roxarsone

: 2163-77-1
3-amino-4-hydroxyphenylarsonic acid

Conditions

Conditions	Yield
With hydrogenchloride bei der elektrolytischen Reduktion an Platin-, Kupfer- oder Nickelkathoden;
With alkali bei der elektrolytischen Reduktion an Platin-, Kupfer- oder Nickelkathoden;
With sodium hydroxide; D-glucose at 50 - 60℃;

: 121-19-7
roxarsone

A: 2163-77-1
3-amino-4-hydroxyphenylarsonic acid

B: (4,4'-dihydroxy-3,3'-azoxy-diphenyl)-bis-arsonic acid

Conditions

Conditions	Yield
With hydrogenchloride; copper bei der elektrolytischen Reduktion;
With hydrogenchloride; nickel bei der elektrolytischen Reduktion;
With hydrogenchloride; platinum bei der elektrolytischen Reduktion;

: 121-19-7
roxarsone

: 2-Amino-4-arsino-phenol

Conditions

Conditions	Yield
bei der elektrolytischen Reduktion an einer Quecksilber-Kathode in saurer Loesung je nach der Saeurerkonzentration;
With sulfuric acid at 25 - 30℃; durch elektrolytische Reduktion an einer Quecksilber-Kathode;
With hydrogenchloride at 25 - 30℃; durch elektrolytische Reduktion an einer Quecksilber-Kathode;
With hydrogenchloride; zinc

: 121-19-7
roxarsone

: 102107-61-9
4-Arsenoso-2-nitro-phenol

Conditions

Conditions	Yield
With hydrogen iodide; sulphurous acid
Multi-step reaction with 2 steps 1: hydrogenchloride; potassium iodide; sulfur dioxide / methanol; water / 0.5 h 2: ammonium hydroxide / methanol; water / pH 8 / Cooling with ice View Scheme

: 121-19-7
roxarsone

: 193970-71-7
4-methoxy-3-nitrophenylarsonic acid

Conditions

Conditions	Yield
bei der Methylierung;
bei der Methylierung;

: 121-19-7
roxarsone

: (3-bromo-4-hydroxy-5-nitro-phenyl)-arsonic acid

Conditions

Conditions	Yield
With methanol; bromine; iron

: 121-19-7
roxarsone

: 3-amino-2-hydroxy-5-hydroxyarsinoyl-benzenesulfonic acid

Conditions

Conditions	Yield
With sodium hydroxide; sodium dithionite unter Kuehlung;

: 121-19-7
roxarsone

: 875241-21-7
(4-hydroxy-3-nitro-phenyl)-phenyl-arsinic acid

Conditions

Conditions	Yield
With hydrogenchloride; sulfur dioxide; potassium iodide anschliessend mit Benzoldiazoniumchlorid;

: 121-19-7
roxarsone

: 6269-50-7
(4-hydroxy-3,5-dinitro-phenyl)-arsonic acid

Conditions

Conditions	Yield
With nitric acid

Roxarsone Consensus Reports

NTP Carcinogenesis Studies (Feed); Equivocal Evidence rat NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. 206- NTP-TR-345 ,1989. ; (Feed); No Evidence mouse NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. 206- NTP-TR-345 ,1989. . Arsenic and its compounds are on the Community Right-To-Know List. Reported in EPA TSCA Inventory.

Roxarsone 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

Roxarsone Specification

The Roxarsone is an organic compound with the formula C₆H₆AsNO₆. The IUPAC name of this chemical is (4-hydroxy-3-nitrophenyl)arsonic acid. With the CAS registry number 121-19-7, it is also named as Arsonic acid, (4-hydroxy-3-nitrophenyl)-. The product's categories are Organometallics; As (Arsenic) Compounds; Classes of Metal Compounds; Semimetal Compounds. Besides, it is a pale yellow crystals or light tan powder, which should be stored in a closed and dark place. It is an organic compound that is widely used agriculturally as a chicken-feed additive. Roxarsone can be prepared by nitration of the hydroxy acid derived from arsenic.

Physical properties about Roxarsone are: (1)ACD/LogP: -0.446; (2)ACD/LogD (pH 5.5): -2.78; (3)ACD/LogD (pH 7.4): -4.77; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 1.00; (8)#H bond acceptors: 7; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Flash Point: 240.331 °C; (12)Enthalpy of Vaporization: 85.696 kJ/mol; (13)Boiling Point: 537.311 °C at 760 mmHg

When you are using this chemical, please be cautious about it as the following:
1. When using, do not eat, drink or smoke;
2. After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer);
3. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);
4. This material and/or its container must be disposed of as hazardous waste;
5. Avoid release to the environment. Refer to special instructions safety data sheet;

You can still convert the following datas into molecular structure:
(1)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);
(2)InChIKey=XMVJITFPVVRMHC-UHFFFAOYSA-N;
(3)Smiles[As](=O)(c1cc([N+](=O)[O-])c(cc1)O)(O)O;

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
chicken	LD50	intraperitoneal	34mg/kg (34mg/kg)	LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), DIFFUSE" GASTROINTESTINAL: OTHER CHANGES BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Toxicology and Applied Pharmacology. Vol. 5, Pg. 507, 1963.
chicken	LD50	oral	110mg/kg (110mg/kg)	GASTROINTESTINAL: OTHER CHANGES BLOOD: HEMORRHAGE	Toxicology and Applied Pharmacology. Vol. 5, Pg. 507, 1963.
dog	LD50	oral	50mg/kg (50mg/kg)	GASTROINTESTINAL: NAUSEA OR VOMITING LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), DIFFUSE" KIDNEY, URETER, AND BLADDER: HEMATURIA	Toxicology and Applied Pharmacology. Vol. 5, Pg. 507, 1963.
mouse	LD50	oral	244mg/kg (244mg/kg)		National Toxicology Program Technical Report Series. Vol. NTP-TR-345, Pg. 1989,
rat	LD50	intraperitoneal	66mg/kg (66mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS GASTROINTESTINAL: OTHER CHANGES KIDNEY, URETER, AND BLADDER: INTERSTITIAL NEPHRITIS	Toxicology and Applied Pharmacology. Vol. 5, Pg. 507, 1963.
rat	LD50	oral	81mg/kg (81mg/kg)		National Toxicology Program Technical Report Series. Vol. NTP-TR-345, Pg. 1989,
turkey	LD50	oral	61mg/kg (61mg/kg)	GASTROINTESTINAL: OTHER CHANGES BLOOD: HEMORRHAGE	Toxicology and Applied Pharmacology. Vol. 5, Pg. 507, 1963.

Product Name

Roxarsone

Synthetic route

Roxarsone Consensus Reports

Roxarsone Standards and Recommendations

Roxarsone Specification

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