Introduction：Basic information about CAS 3899-90-9|3-Nitrophenyl p-Toluenesulfonate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Nitrophenyl p-Toluenesulfonate |
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| CAS Number | 3899-90-9 | Molecular Weight | 293.29500 |
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| Density | 1.388g/cm3 | Boiling Point | 453ºC at 760 mmHg |
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| Molecular Formula | C13H11NO5S | Melting Point | 113ºC |
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| MSDS | / | Flash Point | 227.8ºC |
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Names
| Name | (3-nitrophenyl) 4-methylbenzenesulfonate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.388g/cm3 |
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| Boiling Point | 453ºC at 760 mmHg |
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| Melting Point | 113ºC |
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| Molecular Formula | C13H11NO5S |
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| Molecular Weight | 293.29500 |
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| Flash Point | 227.8ºC |
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| Exact Mass | 293.03600 |
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| PSA | 97.57000 |
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| LogP | 4.27490 |
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| Index of Refraction | 1.604 |
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| InChIKey | QRMMIQVSVATYQP-UHFFFAOYSA-N |
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| SMILES | Cc1ccc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)cc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- XT7130000
- CHEMICAL NAME :
- p-Toluenesulfonic acid, m-nitrophenyl ester
- CAS REGISTRY NUMBER :
- 3899-90-9
- BEILSTEIN REFERENCE NO. :
- 2663852
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C13-H11-N-O5-S
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- 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: 5,34,1953
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Safety Information
| RTECS | XT7130000 |
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| HS Code | 2906299090 |
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Customs
| HS Code | 2906299090 |
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| Summary | 2906299090 other aromatic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0% |
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Synonyms
| 3-Nitrophenyl p-Toluenesulfonate |
| 3-nitrophenyl 4-toluenesulfonate |
| 3-nitrophenyl 4-methylbenzenesulfonate |
| TOLUENE-4-SULFONIC ACID 3-NITRO-PHENYL ESTER |
| m-nitrophenyl p-toluenesulfonate |
| 3-Nitrophenyl tosylate |
| m-Nitrophenyl tosylate |
| Benzenesulfonic acid,4-methyl-,3-nitrophenyl ester |
| p-Toluenesulfonic acid,m-nitrophenyl ester |
| p-Toluenesulfonic Acid 3-Nitrophenyl Ester |
