Introduction：Basic information about CAS 121-03-9|4-nitrotoluene-2-sulfonic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-nitrotoluene-2-sulfonic acid |
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| CAS Number | 121-03-9 | Molecular Weight | 217.199 |
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| Density | 1.5±0.1 g/cm3 | Boiling Point | 500ºC |
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| Molecular Formula | C7H7NO5S | Melting Point | 135°C |
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| MSDS | ChineseUSA | Flash Point | / |
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Names
| Name | 4-nitrotoluene-2-sulfonic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.5±0.1 g/cm3 |
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| Boiling Point | 500ºC |
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| Melting Point | 135°C |
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| Molecular Formula | C7H7NO5S |
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| Molecular Weight | 217.199 |
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| Exact Mass | 217.004486 |
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| PSA | 108.57000 |
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| LogP | 1.15 |
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| Index of Refraction | 1.596 |
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| InChIKey | ZDTXQHVBLWYPHS-UHFFFAOYSA-N |
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| SMILES | Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DB7175000
- CHEMICAL NAME :
- Benzenesulfonic acid, 2-methyl-5-nitro-
- CAS REGISTRY NUMBER :
- 121-03-9
- BEILSTEIN REFERENCE NO. :
- 2216176
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C7-H7-N-O5-S
- MOLECULAR WEIGHT :
- 217.21
- WISWESSER LINE NOTATION :
- WSQR B1 ENW
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1055,1986
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1055,1986 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3710 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1055,1986
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Safety Information
| Hazard Codes | C |
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| Risk Phrases | R34 |
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| Safety Phrases | S26-S36/37/39 |
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| RIDADR | 3261 |
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| RTECS | DB7175000 |
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| HS Code | 2904909090 |
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Customs
| HS Code | 2904909090 |
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| Summary | HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0% |
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Synonyms
| 4-nitrotoluene-2-sulfonic acid |
| 4-nitrotoluene-2-sulphonic acid |
| 4-Nitrotoluenesulfonic Acid |
| 5-nitro-o-toluenesulfonicac |
| 2-methyl-5-nitrobenzenesulfonato |
| MFCD00024914 |
| 2-Methyl-5-nitrobenzenesulfonic acid |
| 5-nitro-o-toluenesulfonic acid |
| P-NITROTOLUENE SULFONIC ACID |
| 4-Nitro-o-toluenesulfonicacid |
| para-nitrotoluene-ortho-sulfonic acid |
| Benzenesulfonic acid, 2-methyl-5-nitro- |
| 4-Nitrotoluene-2-sulfonic acid dihydrate |
| 4-Nitro-toluol-2-sulfonsaeure |
| Toluenesulfonic acid,5-nitr |
| 4-Nitro-2-sulfotoluene |
| PNTOS |
| 5-nitro-o-toluenesulfonicaci |
| 4-Nitrotoluene-2-sulfonic Acid Hydrate |
| EINECS 204-445-3 |
| 4-Nitrotoluol-2-acid |
| 2-Methyl-5-nitro-benzenesulfonic Acid |
