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| CAS No.: | 121-19-7 |
|---|---|
| Name: | Roxarsone |
| Molecular Structure: | |
|
|
|
| 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: |
 T, N
|
| 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 |
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| Conditions | Yield |
|---|---|
| With nitric acid | |
| With sulfuric acid; nitric acid at 0 - 10℃; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 2: concentrated sulfuric acid; nitric acid / 0 - 10 °C View Scheme |
| Conditions | Yield |
|---|---|
| With potassium hydroxide at 80℃; |
- 861528-00-9
(4-dimethylamino-3-nitro-phenyl)-arsonic acid
- 121-19-7
roxarsone
| Conditions | Yield |
|---|---|
| With sodium hydroxide at 85℃; |
- 741258-62-8
(4-anilino-3-nitro-phenyl)-arsonic acid
- 121-19-7
roxarsone
| Conditions | Yield |
|---|---|
| With sodium hydroxide |
- 121-19-7
roxarsone
| Conditions | Yield |
|---|---|
| With trisodium arsenite in alkal. Loesung; |
| Conditions | Yield |
|---|---|
| at 0 - 10℃; |
| Conditions | Yield |
|---|---|
| With potassium hydroxide |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: HNO3+H2SO4 2: KOH-solution View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: HNO3+H2SO4 / beim Nitrieren 2: KOH-solution / 80 °C View Scheme |
- Total:15 Page 1 of 1 1
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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. |