Introduction：Basic information about CAS 774-07-2|ethyl 4-amino-2-sulfanylpyrimidine-5-carboxylate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | ethyl 4-amino-2-sulfanylpyrimidine-5-carboxylate |
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| CAS Number | 774-07-2 | Molecular Weight | 199.230 |
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| Density | 1.4±0.1 g/cm3 | Boiling Point | 386.0±45.0 °C at 760 mmHg |
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| Molecular Formula | C7H9N3O2S | Melting Point | 261-263°C |
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| MSDS | / | Flash Point | 187.2±28.7 °C |
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Names
| Name | Ethyl 4-Amino-2-Mercaptopyrimidine-5-Carboxylate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
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| Boiling Point | 386.0±45.0 °C at 760 mmHg |
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| Melting Point | 261-263°C |
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| Molecular Formula | C7H9N3O2S |
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| Molecular Weight | 199.230 |
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| Flash Point | 187.2±28.7 °C |
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| Exact Mass | 199.041550 |
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| PSA | 116.90000 |
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| LogP | -0.76 |
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| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
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| Index of Refraction | 1.624 |
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| InChIKey | DKTWKRWWQKVQQB-UHFFFAOYSA-N |
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| SMILES | CCOC(=O)c1cnc(=S)[nH]c1N |
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| Storage condition | -20°C Freezer |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UV7720000
- CHEMICAL NAME :
- 5-Pyrimidinecarboxylic acid, 4-amino-2-mercapto-, ethyl ester
- CAS REGISTRY NUMBER :
- 774-07-2
- LAST UPDATED :
- 197901
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C7-H9-N3-O2-S
- MOLECULAR WEIGHT :
- 199.25
- WISWESSER LINE NOTATION :
- T6N CNJ BSH DZ EVO2
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 320 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03521
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Safety Information
| Hazard Codes | Xi:Irritant; |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26-S36 |
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| RTECS | UV7720000 |
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| HS Code | 2933599090 |
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Customs
| HS Code | 2933599090 |
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| Summary | 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 5-Pyrimidinecarboxylic acid, 4-amino-1,2-dihydro-2-thioxo-, ethyl ester |
| MFCD00023227 |
| 5-pyrimidinecarboxylic acid, 6-amino-1,2-dihydro-2-thioxo-, ethyl ester |
| ethyl 4-amino-2-sulfanylpyrimidine-5-carboxylate |
| 5-Pyrimidinecarboxylic acid, 4-amino-2-mercapto-, ethyl ester |
| ethyl 6-amino-2-sulfanylidene-1H-pyrimidine-5-carboxylate |
| ethyl 4-amino-2-thioxo-1,2-dihydropyrimidine-5-carboxylate |
| Ethyl 4-amino-2-thioxo-1,2-dihydro-5-pyrimidinecarboxylate |
| ethyl 6-amino-2-thioxo-1,2-dihydropyrimidine-5-carboxylate |
