CAS Number116574-14-2
Synonyms(1-benzhydrylazetidin-3-yl) 2-cyanoacetate; Acetic acid, 2-cyano-, 1-(diphenylmethyl)-3-azetidinyl ester; 1-benzhydrylazetidin-3-yl 2-cyanoacetate; 1-(Diphenylmethyl)-3-azetidinyl cyanoacetate; 1-(Diphenylmethyl)azetidin-3-yl cyanoacetate
Molecular FormulaC19H18N2O2
Molecular Weight497.63
Purity≥98 (HPLC)%
Density1.2±0.1 g/cm3
Boiling Point446.4±45.0 °C at 760 mmHg
Appearancepowder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 116574-14-2 |
| Catalog No. | 2A-9051036 |
| Chinese Name | 1-二苯甲基-3-氮杂环丁氰乙酸酯 |
| Synonyms | (1-benzhydrylazetidin-3-yl) 2-cyanoacetate; Acetic acid, 2-cyano-, 1-(diphenylmethyl)-3-azetidinyl ester; 1-benzhydrylazetidin-3-yl 2-cyanoacetate; 1-(Diphenylmethyl)-3-azetidinyl cyanoacetate; 1-(Diphenylmethyl)azetidin-3-yl cyanoacetate |
| Molecular Formula | C19H18N2O2 |
| Molecular Weight | 497.63 |
| Purity | ≥98 (HPLC) |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 446.4±45.0 °C at 760 mmHg |
| Appearance | powder |
| Storage Condition | 2-8°C, dry |
| HTC | 2933990090 |
| MDL Number | MFCD17215369 |
| SMILES | S1CCN=C1N2CC(C2)SC3=C(N4[C@H]([C@H]3C)[C@H](C4=O)[C@H](O)C)C(=O)OCOC(=O)C(C)(C)C |
| InChI | 1S/C22H31N3O6S2/c1-11-15-14(12(2)26)18(27)25(15)16(19(28)30-10-31-20(29)22(3,4)5)17(11)33-13-8-24(9-13)21-23-6-7-32-21/h11-15,26H,6-10H2,1-5H3/t11-,12-,14-,15-/m1/s1 |
| InChI Key | SNUDIPVBUUXCDG-QHSBEEBCSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352200 |
| MSDS | msds/51036_1_116574_14_2.pdf |
| Use of | health and chemical hazard data given on this sheet. Store in closed vessels, refrigerated. 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: Flash point:No data Molecular formula:C19H18N2O2 Molecular weight:306.4 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen 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 Codes Xn HS Code 2933990090 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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