Acetic acid, ((1-[(dimethylamino)carbonyl]-3-(1,1-dimethylethyl)-1H-1,2,4-triazol-5-yl)thio)-, ethyl ester
Triazamate
CAS: 112143-82-5
Molecular Formula: C13H22N4O3S
Acetic acid, ((1-[(dimethylamino)carbonyl]-3-(1,1-dimethylethyl)-1H-1,2,4-triazol-5-yl)thio)-, ethyl ester - Names and Identifiers
Acetic acid, ((1-[(dimethylamino)carbonyl]-3-(1,1-dimethylethyl)-1H-1,2,4-triazol-5-yl)thio)-, ethyl ester - Physico-chemical Properties
| Molecular Formula | C13H22N4O3S |
| Molar Mass | 314.4 |
| Density | 1.2357 (rough estimate) |
| Melting Point | 60° |
| Boling Point | 280°C (rough estimate) |
| Flash Point | 189℃ |
| Water Solubility | 433 mg l-1(25 °C) |
| Vapor Presure | 1.6 x l0-4 Pa (25 °C) |
| Appearance | neat |
| BRN | 8422595 |
| pKa | 0.48±0.50(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | 1.6200 (estimate) |
Acetic acid, ((1-[(dimethylamino)carbonyl]-3-(1,1-dimethylethyl)-1H-1,2,4-triazol-5-yl)thio)-, ethyl ester - Risk and Safety
| Risk Codes | R23 - Toxic by inhalation R25 - Toxic if swallowed R36 - Irritating to the eyes R50 - Very Toxic to aquatic organisms |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. |
| UN IDs | UN2811 - class 6.1 - PG 2 - EHS - Toxic solids, organic, n.o.s., HI: all |
| WGK Germany | 3 |
| Toxicity | LD50 (14 d) in mice, rats (mg/kg): 61, 50-200 orally; in rats (mg/kg): >5000 dermally (Murray); LC50 (48 h) in daphnia: 0.048 mg/l; (96 h) in bluegill, trout: 1.0, 0.43 mg/l (Murray) |
Acetic acid, ((1-[(dimethylamino)carbonyl]-3-(1,1-dimethylethyl)-1H-1,2,4-triazol-5-yl)thio)-, ethyl ester - Reference Information
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| production method | production method: trimethylacetic acid and phosgene react in the presence of catalyst to release hydrogen chloride and carbon dioxide, trimethylacetyl chloride (tert-butyl formyl chloride) is formed and then reacted with thiosemicarbazide in toluene in the presence of sodium hydroxide to form acylated thiosemicarbazide, which is then treated with aqueous sodium hydroxide, 3-tert-butyl-5-mercapto-1, 2, 4-triazole is formed. The product can be prepared by reacting ethyl chloroacetate with the above triazole to form an alkylated product, which is then reacted with N,N-dimethylcarbamoyl chloride, or first with phosgene and then with dimethylamine. |
Last Update：2024-04-09 19:05:16
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CAS: 112143-82-5
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CAS: 112143-82-5
Tel: 18301782025
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Acetic acid, ((1-[(dimethylamino)carbonyl]-3-(1,1-dimethylethyl)-1H-1,2,4-triazol-5-yl)thio)-, ethyl ester
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