CAS Number77497-97-3
SynonymsEINECS 406-960-0; THIQ-B; (S)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID BENZYL ESTER; benzyl (S)-(-)-1,2,3,4-tetrahydro-3-isoquinoline carboxylate p-toluenesulfonic acid salt; BENZYL(3S)-1,2,3,4-TETRAHYDRO ISOQUINOLINE-3-CARBOXYLATE; benzyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate p-toluenesulfonate; (S)-1,2,3,4-Tetrahydroisoquinoline carboxylic acid phenylmethyl ester; Benzyl-(S)-1,2,3,4-Tetrahydro-iso-Quinoline-3-Carboxylate; Benzyl (S)-(-)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylate p-To; Benzyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate 4-methylbenzenesulfonate (1:1); (S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid; MFCD03419265; benzyl (S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate tosylate; benzyl (S)-(-)-1,2,3,4-tetrahydroiso-quinolinecar; phenylmethy
Molecular FormulaC24H25NO5S
Molecular Weight439.524
Purity98.00%
Boiling Point634.1ºC at 760 mmHg
Melting Point145-150°C
AppearanceWhite crystal
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 77497-97-3 |
| Catalog No. | 2A-9048126 |
| Chinese Name | (S)-1,2,3,4-四氢-3-异喹啉羧酸苄酯对甲苯磺酸盐 |
| Synonyms | EINECS 406-960-0; THIQ-B; (S)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID BENZYL ESTER; benzyl (S)-(-)-1,2,3,4-tetrahydro-3-isoquinoline carboxylate p-toluenesulfonic acid salt; BENZYL(3S)-1,2,3,4-TETRAHYDRO ISOQUINOLINE-3-CARBOXYLATE; benzyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate p-toluenesulfonate; (S)-1,2,3,4-Tetrahydroisoquinoline carboxylic acid phenylmethyl ester; Benzyl-(S)-1,2,3,4-Tetrahydro-iso-Quinoline-3-Carboxylate; Benzyl (S)-(-)-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylate p-To; Benzyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate 4-methylbenzenesulfonate (1:1); (S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid; MFCD03419265; benzyl (S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate tosylate; benzyl (S)-(-)-1,2,3,4-tetrahydroiso-quinolinecar; phenylmethy |
| Molecular Formula | C24H25NO5S |
| Molecular Weight | 439.524 |
| Purity | 98.00 |
| Boiling Point | 634.1ºC at 760 mmHg |
| Melting Point | 145-150°C |
| Appearance | White crystal |
| Storage Condition | 2~8°C |
| HTC | 2933499090 |
| PubChem ID | 24870242 |
| SMILES | Cc1ccc(S(=O)(=O)O)cc1.O=C(OCc1ccccc1)C1Cc2ccccc2CN1 |
| InChI | InChI=1S/C17H17NO2.C7H8O3S/c19-17(20-12-13-6-2-1-3-7-13)16-10-14-8-4-5-9-15(14)11-18-16;1-6-2-4-7(5-3-6)11(8,9)10/h1-9,16,18H,10-12H2;2-5H,1H3,(H,8,9,10)/t16-;/m0./s1 |
| InChI Key | PSMBIFNNFMRIMV-NTISSMGPSA-N |
| Use of | health and chemical hazard data given on this sheet. Storage:Store in closed vessels. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data Melting point:No data Flash point:No data Molecular weight: 439.5 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, sulfur oxides. Section11. Toxicological information Section12. Ecological information Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION Safety Information Hazard Statements H411 Precautionary Statements P273 Personal Protective Equipment Eyeshields;Gloves Hazard Codes N:Dangerousfortheenvironment; Safety Phrases S61 RIDADR UN 3077 HS Code 2933499090 Precursor & DownStream Precursor 4 CAS#:6192-52-5 p-Toluenesulfon... CAS#:77497-95-1 (S)-1,2,3,4-Tet... CAS#:100-51-6 Benzyl alcohol CAS#:63-91-2 L-Phenylalanine DownStream 1 CAS#:77497-96-2 (S)-1,2,3,4-TET... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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