Introduction：Basic information about CAS 118-47-8|1-(4'-Sulfophenyl)-3-carboxy-5-pyrazolone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1-(4'-Sulfophenyl)-3-carboxy-5-pyrazolone |
|---|
| CAS Number | 118-47-8 | Molecular Weight | 284.245 |
|---|
| Density | 1.7±0.1 g/cm3 | Boiling Point | / |
|---|
| Molecular Formula | C10H8N2O6S | Melting Point | 260-270 |
|---|
| MSDS | / | Flash Point | / |
|---|
Names
| Name | 1-(4'-Sulfophenyl)-3-carboxy-5-pyrazolone |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 1.7±0.1 g/cm3 |
|---|
| Melting Point | 260-270 |
|---|
| Molecular Formula | C10H8N2O6S |
|---|
| Molecular Weight | 284.245 |
|---|
| Exact Mass | 284.010315 |
|---|
| PSA | 132.72000 |
|---|
| LogP | -0.84 |
|---|
| Index of Refraction | 1.695 |
|---|
| InChIKey | TYCNXOAPQGVAQU-UHFFFAOYSA-N |
|---|
| SMILES | O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1 |
|---|
| Storage condition | -20°C |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UQ6393920
- CHEMICAL NAME :
- 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-
- CAS REGISTRY NUMBER :
- 118-47-8
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C10-H8-N2-O6-S
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >22 gm/kg
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - other changes
- REFERENCE :
- GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 28(12),56,1984
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >22 gm/kg
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - other changes
- REFERENCE :
- GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 28(12),56,1984
|
Safety Information
| Hazard Codes | Xi |
|---|
| HS Code | 2933199090 |
|---|
Customs
| HS Code | 2933199090 |
|---|
| Summary | 2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
|---|
Synonyms
| p-SCOP (1 : 4 SPCP) |
| MFCD00020755 |
| 3-Carboxy-1-(4-sulfophenyl)-2-pyrazolin-5-one |
| 3-Carboxy-1-(4-sulfo-phenyl)-pyrazolon-5 |
| 5-Oxo-1-(4-sulfophenyl)-2,5-dihydro-1H-pyrazole-3-carboxylic acid |
| pyt |
| PYRAZOLONE T |
| 5-oxo-1-(4-sulfo-phenyl)-2,5-dihydro-1H-pyrazole-3-carboxylic acid |
| SPCP |
| 1-(4-SULFOPHENYL)-3-CARBOXY-5-PYRAZOLONE |
| 4-(4-sulfo-1-phenylazo)-1-(4-sulfophenyl)-5-hydroxy-pyrazolone-3-carboxylic acid |
| carboxypyrazoltcacid4 |
| PYRAZALONE T |
| 1-(4'-Sulphophenyl)-3-carboxy-5-pyrazolone |
| EINECS 204-254-5 |
| 5-oxo-1-(4-sulfophenyl)-2-pyrazoline-3-carboxylic acid |
| 1H-Pyrazole-3-carboxylic acid, 2,5-dihydro-5-oxo-1-(4-sulfophenyl)- |
| 5-oxo-1-(4-sulphophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid |
