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121-19-7

Basic Information
CAS No.: 121-19-7
Name: Roxarsone
Article Data: 13
Molecular Structure:
Molecular Structure of 121-19-7 (Roxarsone)
Formula: C6H6AsNO6
Molecular Weight: 263.038
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;
EINECS: 204-453-7
Density: 2.02 g/cm3
Melting Point: ≥300 °C(lit.)
Boiling Point: 537.311 °C at 760 mmHg
Flash Point: 240.331 °C
Solubility: <0.1 g/100 mL at 23℃
Appearance: Pale yellow crystals or light tan powder
Hazard Symbols: ToxicT,DangerousN
Risk Codes: 23/25-50/53
Safety: 20/21-28-45-60-61
Transport Information: UN 3465 6.1/PG 2
PSA: 123.58000
LogP: -0.61540
Synthetic route
98-14-6

4-hydroxyphenylarsonic acid

121-19-7

roxarsone

Conditions
ConditionsYield
With nitric acid
With sulfuric acid; nitric acid at 0 - 10℃;
108-95-2

phenol

121-19-7

roxarsone

Conditions
ConditionsYield
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
ConditionsYield
With potassium hydroxide at 80℃;
861528-00-9

(4-dimethylamino-3-nitro-phenyl)-arsonic acid

121-19-7

roxarsone

Conditions
ConditionsYield
With sodium hydroxide at 85℃;
741258-62-8

(4-anilino-3-nitro-phenyl)-arsonic acid

121-19-7

roxarsone

Conditions
ConditionsYield
With sodium hydroxide
diazotized 2-nitro-4-amino-phenol

diazotized 2-nitro-4-amino-phenol

121-19-7

roxarsone

Conditions
ConditionsYield
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
ConditionsYield
at 0 - 10℃;
5430-08-0

(4-chloro-3-nitro-phenyl)-arsonic acid

121-19-7

roxarsone

Conditions
ConditionsYield
With potassium hydroxide
5440-04-0

4-chlorobenzenearsonic acid

121-19-7

roxarsone

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: HNO3+H2SO4
2: KOH-solution
View Scheme
618-22-4

arsacetin

121-19-7

roxarsone

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

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    121-19-7

    Roxarsone

    Min.Order: 1 Gram

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    Roxarsone Application:824582

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  • Arsonic acid,As-(4-hydroxy-3-nitrophenyl)-

  • Casno:

    121-19-7

    Arsonic acid,As-(4-hydroxy-3-nitrophenyl)-

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    Arsonic acid,As-(4-hydroxy-3-nitrophenyl)- Storage:keep in dry and cool condition Package:25kg or according to cutomer's demand Application:Chemical research/pharma intermediate Transportation:By Sea,by Air,By courier like DHL or Fedx. Port:Shanghai/

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  • Roxarsone

  • Casno:

    121-19-7

    Roxarsone

    Min.Order: 0 Metric Ton

    FOB Price:  USD $ 0.0-0.0

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  • ROXARSONE

  • Casno:

    121-19-7

    ROXARSONE

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  • Roxarsone

  • Casno:

    121-19-7

    Roxarsone

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  • 121-19-7

  • Casno:

    121-19-7

    121-19-7

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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.

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

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.