Introduction：Basic information about CAS 618-76-8|Ioxynic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Ioxynic acid |
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| CAS Number | 618-76-8 | Molecular Weight | 389.91400 |
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| Density | 2.697g/cm3 | Boiling Point | 346.4ºC at 760 mmHg |
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| Molecular Formula | C7H4I2O3 | Melting Point | 275°C (dec.) |
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| MSDS | / | Flash Point | 163.3ºC |
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Names
| Name | 4-hydroxy-3,5-diiodobenzoic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 2.697g/cm3 |
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| Boiling Point | 346.4ºC at 760 mmHg |
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| Melting Point | 275°C (dec.) |
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| Molecular Formula | C7H4I2O3 |
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| Molecular Weight | 389.91400 |
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| Flash Point | 163.3ºC |
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| Exact Mass | 389.82500 |
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| PSA | 57.53000 |
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| LogP | 2.29960 |
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| Index of Refraction | 1.784 |
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| InChIKey | XREKTVACBXQCSB-UHFFFAOYSA-N |
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| SMILES | O=C(O)c1cc(I)c(O)c(I)c1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DG8597500
- CHEMICAL NAME :
- Benzoic acid, 3,5-diiodo-4-hydroxy-
- CAS REGISTRY NUMBER :
- 618-76-8
- BEILSTEIN REFERENCE NO. :
- 2212145
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C7-H4-I2-O3
- MOLECULAR WEIGHT :
- 389.91
- WISWESSER LINE NOTATION :
- QVR DQ CI EI
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,20,1953
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 4 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 43,495,1954
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Behavioral - changes in motor activity (specific assay)
- REFERENCE :
- JMPCAS Journal of Medicinal and Pharmaceutical Chemistry. (Washington, DC) V.1-5, 1959-62. For publisher information, see JMCMAR. Volume(issue)/page/year: 2,213,1960
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 750 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JOCEAH Journal of Organic Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1936- Volume(issue)/page/year: 22,1686,1957
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Safety Information
| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26-S36 |
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| RTECS | DG8597500 |
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| HS Code | 2918290000 |
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Customs
| HS Code | 2918290000 |
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| Summary | HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0% |
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Synonyms
| 4-carboxy-2,6-di-iodophenol |
| Ioxynil acid |
| p-hydroxy-3,5-diiodobenzoic acid |
| 4-hydroxy-3,5-diiodo-benzoic acid |
| 3,5-Diiod-4-hydroxy-benzoesaeure |
| 3,5-Diiodo-4-hydroxybenzoic acid |
| EINECS 210-562-0 |
| MFCD00016532 |
| Benzoic acid,4-hydroxy-3,5-diiodo |
| 4-Hydroxy-3,5-dijod-benzoesaeure |
